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C27H23N6O3FS | Cheminformatics

(6Z)-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula : C27H23N6O3FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(6Z)-6-[[1-[(2-fluorophenyl)methyl]indol-3-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-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

MolecularFormula : C27H23N6O3FS

Smiles : N=C(/C1=C/c2cn(Cc(cccc3)c3F)c3c2cccc3)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C27H23FN6O3S/c28-21-7-3-1-5-17(21)15-33-16-18(19-6-2-4-8-22(19)33)13-20-25(29)34-27(30-26(20)36)38-23(31-34)14-24(35)32-9-11-37-12-10-32/h1-8,13,16,29H,9-12,14-15H2

InChIK : JUIZTIUGPMHXGM-UHFFFAOYSA-N

TotalMolweight : 530.583

Molweight : 530.583

MonoisotopicMass : 530.153637

CLogP : 1.558

CLogS : -2.57

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 379.78

Relative PSA : 0.27953

PolarSurfaceArea : 128.65

Druglikeness : 5.192

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.52632

Fragments : 1

Non HAtoms : 38

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 5

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (6Z)-6-[[1-[(2-fluorophenyl)methyl]indol-3-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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