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N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Formula:C27H23N4O2ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
MolecularFormulaC27H23N4O2ClS2
SmilesO=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\C(\Cl)=C\c1ccccc1
InChIInChI=1S/C27H23ClN4O2S2/c28-19(15-18-9-3-1-4-10-18)16-29-31-23(33)17-35-27-30-25-24(21-13-7-8-14-22(21)36-25)26(34)32(27)20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17H2,(H,31,33)
InChIKGZTFTPGTJBKPBM-UHFFFAOYSA-N
TotalMolweight535.091
Molweight535.091
MonoisotopicMass534.095093
CLogP5.9034
CLogS-8.36
H Acceptors6
H Donors1
TotalSurfaceArea393.13
Relative PSA0.25935
PolarSurfaceArea127.67
Druglikeness2.6254
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52778
Fragments1
Non HAtoms36
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Symmetricatoms4
Amides1
StereoCon

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