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C16H14N5O4BrS | Cheminformatics
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(6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula : C16H14N5O4BrS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

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

MolecularFormula : C16H14N5O4BrS

Smiles : N=C(/C1=C/c(o2)ccc2Br)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C16H14BrN5O4S/c17-11-2-1-9(26-11)7-10-14(18)22-16(19-15(10)24)27-12(20-22)8-13(23)21-3-5-25-6-4-21/h1-2,7,18H,3-6,8H2

InChIK : CDGULQBUSBRXMX-UHFFFAOYSA-N

TotalMolweight : 452.288

Molweight : 452.288

MonoisotopicMass : 450.994986

CLogP : -0.0612

CLogS : -1.557

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 284.43

Relative PSA : 0.39869

PolarSurfaceArea : 136.86

Druglikeness : 3.9592

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.59259

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (6Z)-6-[(5-bromofuran-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-bromofuran-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-bromofuran-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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