7-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide

Formula:C19H12N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 7-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide is a drug-like molecule.

MolName7-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
MolecularFormulaC19H12N2O4S
SmilesOc(cc1)cc(O2)c1C=C(C(Nc1nc(-c3ccccc3)cs1)=O)C2=O
InChIInChI=1S/C19H12N2O4S/c22-13-7-6-12-8-14(18(24)25-16(12)9-13)17(23)21-19-20-15(10-26-19)11-4-2-1-3-5-11/h1-10,22H,(H,20,21,23)
InChIKXYSHSLCVKOVSHV-UHFFFAOYSA-N
TotalMolweight364.38
Molweight364.38
MonoisotopicMass364.051778
CLogP3.3535
CLogS-4.683
H Acceptors6
H Donors2
TotalSurfaceArea262
Relative PSA0.35103
PolarSurfaceArea116.76
Druglikeness1.5314
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB; limit! thiazol-2-ylamine
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoCon

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