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

Formula:C28H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(furan-2-ylmethyl)benzamide is a drug-like molecule.

MolName4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(furan-2-ylmethyl)benzamide
MolecularFormulaC28H21N2O4Cl
SmilesO=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cc3)ccc3Cl)C2=O)cc1)NCc1ccco1
InChIInChI=1S/C28H21ClN2O4/c29-22-13-9-20(10-14-22)18-31-24-5-1-2-6-25(24)35-26(28(31)33)16-19-7-11-21(12-8-19)27(32)30-17-23-4-3-15-34-23/h1-16H,17-18H2,(H,30,32)
InChIKNSNRWDKDZJQGBE-UHFFFAOYSA-N
TotalMolweight484.938
Molweight484.938
MonoisotopicMass484.118985
CLogP4.9339
CLogS-6.845
H Acceptors6
H Donors1
TotalSurfaceArea363.64
Relative PSA0.1793
PolarSurfaceArea71.78
Druglikeness3.7838
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms3
Symmetricatoms4
Amides2
StereoCon

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