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

Formula:C21H20N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(oxolan-2-ylmethyl)benzamide is a drug-like molecule.

MolName	4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(oxolan-2-ylmethyl)benzamide
MolecularFormula	C21H20N2O4
Smiles	O=C(c1ccc(/C=C2\Oc(cccc3)c3NC2=O)cc1)NCC1OCCC1
InChI	InChI=1S/C21H20N2O4/c24-20(22-13-16-4-3-11-26-16)15-9-7-14(8-10-15)12-19-21(25)23-17-5-1-2-6-18(17)27-19/h1-2,5-10,12,16H,3-4,11,13H2,(H,22,24)(H,23,25)/t16-/m1/s1
InChIK	VFZIZUIKYIHDLW-MRXNPFEDSA-N
TotalMolweight	364.4
Molweight	364.4
MonoisotopicMass	364.142308
CLogP	2.2445
CLogS	-4.49
H Acceptors	6
H Donors	2
TotalSurfaceArea	276.69
Relative PSA	0.24938
PolarSurfaceArea	76.66
Druglikeness	0.93363
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
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	2
StereoCon	racemate

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