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

Formula:C22H23N2O4ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is not a drug-like molecule.

MolName	ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C22H23N2O4ClS2
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(sc2c3cccc2)c3Cl)=O)s1)=O
InChI	InChI=1S/C22H23ClN2O4S2/c1-5-25(6-2)21(27)17-12(4)15(22(28)29-7-3)20(31-17)24-19(26)18-16(23)13-10-8-9-11-14(13)30-18/h8-11H,5-7H2,1-4H3,(H,24,26)
InChIK	OCHZHPRGGYQJQF-UHFFFAOYSA-N
TotalMolweight	479.02
Molweight	479.02
MonoisotopicMass	478.078775
CLogP	5.5716
CLogS	-6.401
H Acceptors	6
H Donors	1
TotalSurfaceArea	350.25
Relative PSA	0.29936
PolarSurfaceArea	132.19
Druglikeness	2.6522
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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

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