2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]acetamide

Formula:C28H29N5O8S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]acetamide
MolecularFormula	C28H29N5O8S
Smiles	[O-][N+](c(cccc1)c1N(CC(N/N=C\c(cc1)ccc1OCC(NCC1OCCC1)=O)=O)S(c1ccccc1)(=O)=O)=O
InChI	InChI=1S/C28H29N5O8S/c34-27(19-32(25-10-4-5-11-26(25)33(36)37)42(38,39)24-8-2-1-3-9-24)31-30-17-21-12-14-22(15-13-21)41-20-28(35)29-18-23-7-6-16-40-23/h1-5,8-15,17,23H,6-7,16,18-20H2,(H,29,35)(H,31,34)/t23-/m1/s1
InChIK	MOCCEECOVDESLE-HSZRJFAPSA-N
TotalMolweight	595.631
Molweight	595.631
MonoisotopicMass	595.173685
CLogP	1.4427
CLogS	-5.856
H Acceptors	13
H Donors	2
TotalSurfaceArea	440.07
Relative PSA	0.32508
PolarSurfaceArea	180.6
Druglikeness	-7.6215
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54762
Fragments	1
Non HAtoms	42
NonCHAtoms	14
Electronegative Atoms	14
StereoCenters	1
Rotatable Bond	12
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	5
Amides	2
AcidicOxygens	1
StereoCon	racemate

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1 - 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]acetamide

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