benzyl 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate

Formula:C25H21N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate is a drug-like molecule.

MolName	benzyl 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate
MolecularFormula	C25H21N2O4Br
Smiles	O=C(CNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccccc1)=O)OCc1ccccc1
InChI	InChI=1S/C25H21BrN2O4/c26-21-13-11-20(12-14-21)24(30)28-22(15-18-7-3-1-4-8-18)25(31)27-16-23(29)32-17-19-9-5-2-6-10-19/h1-15H,16-17H2,(H,27,31)(H,28,30)
InChIK	SHTCRVFTCYKXRX-UHFFFAOYSA-N
TotalMolweight	493.356
Molweight	493.356
MonoisotopicMass	492.068469
CLogP	4.4163
CLogS	-5.426
H Acceptors	6
H Donors	2
TotalSurfaceArea	349.81
Relative PSA	0.20594
PolarSurfaceArea	84.5
Druglikeness	0.16623
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
Amides	2
StereoCon

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1 - benzyl 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate | 2 - benzyl 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate

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