ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Formula:C20H22N3O6ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is a drug-like molecule.

MolName	ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C20H22N3O6ClS
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(cc(cc2)Cl)c2[N+]([O-])=O)=O)s1)=O
InChI	InChI=1S/C20H22ClN3O6S/c1-5-23(6-2)19(26)16-11(4)15(20(27)30-7-3)18(31-16)22-17(25)13-10-12(21)8-9-14(13)24(28)29/h8-10H,5-7H2,1-4H3,(H,22,25)
InChIK	IYAUDKSATMIFRS-UHFFFAOYSA-N
TotalMolweight	467.929
Molweight	467.929
MonoisotopicMass	467.091784
CLogP	3.7288
CLogS	-5.512
H Acceptors	9
H Donors	1
TotalSurfaceArea	343.38
Relative PSA	0.33464
PolarSurfaceArea	149.77
Druglikeness	-2.3666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate | 2 - ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

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