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C22H18N5O4BrS | Cheminformatics
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(6Z)-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula : C22H18N5O4BrS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(6Z)-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName : (6Z)-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

MolecularFormula : C22H18N5O4BrS

Smiles : N=C(/C1=C/c2ccc(-c(cc3)ccc3Br)o2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C22H18BrN5O4S/c23-14-3-1-13(2-4-14)17-6-5-15(32-17)11-16-20(24)28-22(25-21(16)30)33-18(26-28)12-19(29)27-7-9-31-10-8-27/h1-6,11,24H,7-10,12H2

InChIK : UEJVNBYXOKGDPC-UHFFFAOYSA-N

TotalMolweight : 528.386

Molweight : 528.386

MonoisotopicMass : 527.026286

CLogP : 1.5916

CLogS : -3.572

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 344.19

Relative PSA : 0.32947

PolarSurfaceArea : 136.86

Druglikeness : 5.4692

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.60606

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (6Z)-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2 - (6Z)-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Request More Details | (6Z)-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one


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