2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide

Formula:C24H22N3O4BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
MolecularFormula	C24H22N3O4BrS2
Smiles	O=C(CN(c(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC1CSC1
InChI	InChI=1S/C24H22BrN3O4S2/c25-19-8-10-20(11-9-19)28(34(30,31)23-4-2-1-3-5-23)15-24(29)27-26-14-18-6-12-21(13-7-18)32-22-16-33-17-22/h1-14,22H,15-17H2,(H,27,29)
InChIK	MXFFEYKAQHRPEA-UHFFFAOYSA-N
TotalMolweight	560.492
Molweight	560.492
MonoisotopicMass	559.023508
CLogP	3.8206
CLogS	-6.609
H Acceptors	7
H Donors	1
TotalSurfaceArea	372.03
Relative PSA	0.25705
PolarSurfaceArea	121.75
Druglikeness	-1.9025
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	8
Amides	1
StereoCon

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1 - 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide

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