4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(thiophen-2-ylmethyl)benzamide

Formula:C21H16N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(thiophen-2-ylmethyl)benzamide is a drug-like molecule.

MolName	4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(thiophen-2-ylmethyl)benzamide
MolecularFormula	C21H16N2O3S
Smiles	O=C(c1ccc(/C=C2\Oc(cccc3)c3NC2=O)cc1)NCc1cccs1
InChI	InChI=1S/C21H16N2O3S/c24-20(22-13-16-4-3-11-27-16)15-9-7-14(8-10-15)12-19-21(25)23-17-5-1-2-6-18(17)26-19/h1-12H,13H2,(H,22,24)(H,23,25)
InChIK	KHJAOOFCGSHBJO-UHFFFAOYSA-N
TotalMolweight	376.435
Molweight	376.435
MonoisotopicMass	376.088163
CLogP	3.2294
CLogS	-5.138
H Acceptors	5
H Donors	2
TotalSurfaceArea	282.11
Relative PSA	0.28131
PolarSurfaceArea	95.67
Druglikeness	3.6411
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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