N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

Formula:C25H25N4O5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is not a drug-like molecule.

MolName	N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
MolecularFormula	C25H25N4O5BrS
Smiles	NC(COc1ccc(/C=N\NC(CN(CCc2ccccc2)S(c(cc2)ccc2Br)(=O)=O)=O)cc1)=O
InChI	InChI=1S/C25H25BrN4O5S/c26-21-8-12-23(13-9-21)36(33,34)30(15-14-19-4-2-1-3-5-19)17-25(32)29-28-16-20-6-10-22(11-7-20)35-18-24(27)31/h1-13,16H,14-15,17-18H2,(H2,27,31)(H,29,32)
InChIK	JTVPDHZOFTWREE-UHFFFAOYSA-N
TotalMolweight	573.467
Molweight	573.467
MonoisotopicMass	572.072902
CLogP	3.3007
CLogS	-4.76
H Acceptors	9
H Donors	2
TotalSurfaceArea	395.57
Relative PSA	0.26911
PolarSurfaceArea	139.54
Druglikeness	6.2813
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	11
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	7
Amides	2
StereoCon

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1 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide | 2 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

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