3,5-bis[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide

Formula:C28H20N6O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3,5-bis[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide is not a drug-like molecule.

MolName	3,5-bis[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
MolecularFormula	C28H20N6O7S
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2cc(C(Nc3nccs3)=O)cc(NC(/C=C/c(cc3)ccc3[N+]([O-])=O)=O)c2)=O)cc1)=O
InChI	InChI=1S/C28H20N6O7S/c35-25(11-5-18-1-7-23(8-2-18)33(38)39)30-21-15-20(27(37)32-28-29-13-14-42-28)16-22(17-21)31-26(36)12-6-19-3-9-24(10-4-19)34(40)41/h1-17H,(H,30,35)(H,31,36)(H,29,32,37)
InChIK	NMLIKIOSKVYDIY-UHFFFAOYSA-N
TotalMolweight	584.568
Molweight	584.568
MonoisotopicMass	584.111419
CLogP	3.5426
CLogS	-7.545
H Acceptors	13
H Donors	3
TotalSurfaceArea	435.21
Relative PSA	0.38067
PolarSurfaceArea	220.07
Druglikeness	-4.4758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.54762
Fragments	1
Non HAtoms	42
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	18
Amides	3
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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