N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-3-nitrobenzamide

Formula:C18H12N4O4BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-3-nitrobenzamide is a drug-like molecule.

MolName	N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-3-nitrobenzamide
MolecularFormula	C18H12N4O4BrClS
Smiles	[O-][N+](c1cccc(C(N/N=C\C(SC(N2Cc(cc3)ccc3Br)=O)=C2Cl)=O)c1)=O
InChI	InChI=1S/C18H12BrClN4O4S/c19-13-6-4-11(5-7-13)10-23-16(20)15(29-18(23)26)9-21-22-17(25)12-2-1-3-14(8-12)24(27)28/h1-9H,10H2,(H,22,25)
InChIK	XIAPFTTWQJXGJW-UHFFFAOYSA-N
TotalMolweight	495.74
Molweight	495.74
MonoisotopicMass	493.945114
CLogP	3.3755
CLogS	-6.622
H Acceptors	8
H Donors	1
TotalSurfaceArea	313.43
Relative PSA	0.32068
PolarSurfaceArea	132.89
Druglikeness	0.55528
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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