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

Formula:C18H12N3O2Br2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]benzamide is not a drug-like molecule.

MolName	3-bromo-N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]benzamide
MolecularFormula	C18H12N3O2Br2ClS
Smiles	O=C(c1cccc(Br)c1)N/N=C\C(SC(N1Cc(cc2)ccc2Br)=O)=C1Cl
InChI	InChI=1S/C18H12Br2ClN3O2S/c19-13-6-4-11(5-7-13)10-24-16(21)15(27-18(24)26)9-22-23-17(25)12-2-1-3-14(20)8-12/h1-9H,10H2,(H,23,25)
InChIK	CHKMCOMQOLGJLN-UHFFFAOYSA-N
TotalMolweight	529.639
Molweight	529.639
MonoisotopicMass	526.870546
CLogP	5.0223
CLogS	-6.996
H Acceptors	5
H Donors	1
TotalSurfaceArea	308.39
Relative PSA	0.22728
PolarSurfaceArea	87.07
Druglikeness	5.6415
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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