(E)-3-(4-chloro-3-nitrophenyl)-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]prop-2-enamide

Formula:C23H15N4O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(4-chloro-3-nitrophenyl)-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-chloro-3-nitrophenyl)-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]prop-2-enamide
MolecularFormula	C23H15N4O3ClS2
Smiles	[O-][N+](c(cc(/C=C/C(NC(Nc1nc(-c2cc3ccccc3cc2)cs1)=S)=O)cc1)c1Cl)=O
InChI	InChI=1S/C23H15ClN4O3S2/c24-18-9-5-14(11-20(18)28(30)31)6-10-21(29)26-22(32)27-23-25-19(13-33-23)17-8-7-15-3-1-2-4-16(15)12-17/h1-13H,(H2,25,26,27,29,32)
InChIK	LGAUGJGMTQGVFN-UHFFFAOYSA-N
TotalMolweight	494.982
Molweight	494.982
MonoisotopicMass	494.027408
CLogP	5.573
CLogS	-8.356
H Acceptors	7
H Donors	2
TotalSurfaceArea	361.05
Relative PSA	0.34818
PolarSurfaceArea	160.17
Druglikeness	-3.7381
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine; thio-amide/urea
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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