ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate

Formula:C21H25N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate is a drug-like molecule.

MolName	ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate
MolecularFormula	C21H25N3O6S
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(cc2)cc(C)c2[N+]([O-])=O)=O)s1)=O
InChI	InChI=1S/C21H25N3O6S/c1-6-23(7-2)20(26)17-13(5)16(21(27)30-8-3)19(31-17)22-18(25)14-9-10-15(24(28)29)12(4)11-14/h9-11H,6-8H2,1-5H3,(H,22,25)
InChIK	JUJDQQWTTNPGMD-UHFFFAOYSA-N
TotalMolweight	447.511
Molweight	447.511
MonoisotopicMass	447.146407
CLogP	3.4667
CLogS	-5.12
H Acceptors	9
H Donors	1
TotalSurfaceArea	340.22
Relative PSA	0.33775
PolarSurfaceArea	149.77
Druglikeness	-2.4326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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