N-[(E)-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-cyano-3-(2,4-dinitroanilino)-3-oxopropan-2-ylidene]amino]pyridine-4-carboxamide

Formula:C25H15N8O6BrS Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(E)-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-cyano-3-(2,4-dinitroanilino)-3-oxopropan-2-ylidene]amino]pyridine-4-carboxamide is not a drug-like molecule.

MolName	N-[(E)-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-cyano-3-(2,4-dinitroanilino)-3-oxopropan-2-ylidene]amino]pyridine-4-carboxamide
MolecularFormula	C25H15N8O6BrS
Smiles	N#CC(/C(/C(Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O)=N\NC(c1ccncc1)=O)c1nc(-c(cc2)ccc2Br)cs1
InChI	InChI=1S/C25H15BrN8O6S/c26-16-3-1-14(2-4-16)20-13-41-25(30-20)18(12-27)22(31-32-23(35)15-7-9-28-10-8-15)24(36)29-19-6-5-17(33(37)38)11-21(19)34(39)40/h1-11,13,18H,(H,29,36)(H,32,35)/t18-/m0/s1
InChIK	WKLIHDFQVOWFGO-SFHVURJKSA-N
TotalMolweight	635.414
Molweight	635.414
MonoisotopicMass	634.001863
CLogP	1.9498
CLogS	-7.079
H Acceptors	14
H Donors	2
TotalSurfaceArea	427.57
Relative PSA	0.41446
PolarSurfaceArea	240.01
Druglikeness	-3.8399
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
Shape Index	0.43902
Fragments	1
Non HAtoms	41
NonCHAtoms	16
Electronegative Atoms	16
StereoCenters	1
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon	racemate

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1 - N-[(E)-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-cyano-3-(2,4-dinitroanilino)-3-oxopropan-2-ylidene]amino]pyridine-4-carboxamide | 2 - N-[(E)-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-cyano-3-(2,4-dinitroanilino)-3-oxopropan-2-ylidene]amino]pyridine-4-carboxamide

Request More Details | N-[(E)-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-cyano-3-(2,4-dinitroanilino)-3-oxopropan-2-ylidene]amino]pyridine-4-carboxamide

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