ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Formula:C23H25N2O4ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is not a drug-like molecule.

MolName	ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C23H25N2O4ClS2
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(sc2c3ccc(C)c2)c3Cl)=O)s1)=O
InChI	InChI=1S/C23H25ClN2O4S2/c1-6-26(7-2)22(28)18-13(5)16(23(29)30-8-3)21(32-18)25-20(27)19-17(24)14-10-9-12(4)11-15(14)31-19/h9-11H,6-8H2,1-5H3,(H,25,27)
InChIK	OKBRHXYEBFONKU-UHFFFAOYSA-N
TotalMolweight	493.047
Molweight	493.047
MonoisotopicMass	492.094425
CLogP	5.9155
CLogS	-6.745
H Acceptors	6
H Donors	1
TotalSurfaceArea	362.51
Relative PSA	0.28923
PolarSurfaceArea	132.19
Druglikeness	2.6522
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon

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1 - ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate | 2 - ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

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