4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[5-chloro-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

Formula:C31H23N5O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[5-chloro-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.

MolName	4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[5-chloro-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
MolecularFormula	C31H23N5O3Cl2S
Smiles	O=C(COc(cc1)c(/C=N\NC(c(cc2)ccc2-c2csc(Nc3ccccc3)n2)=O)cc1Cl)Nc(cc1)ccc1Cl
InChI	InChI=1S/C31H23Cl2N5O3S/c32-23-10-13-26(14-11-23)35-29(39)18-41-28-15-12-24(33)16-22(28)17-34-38-30(40)21-8-6-20(7-9-21)27-19-42-31(37-27)36-25-4-2-1-3-5-25/h1-17,19H,18H2,(H,35,39)(H,36,37)(H,38,40)
InChIK	NYJMVZWKKQMSJX-UHFFFAOYSA-N
TotalMolweight	616.528
Molweight	616.528
MonoisotopicMass	615.089864
CLogP	8.0419
CLogS	-9.574
H Acceptors	8
H Donors	3
TotalSurfaceArea	456.24
Relative PSA	0.24833
PolarSurfaceArea	132.95
Druglikeness	5.9919
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	42
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[5-chloro-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide | 2 - 4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[5-chloro-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

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