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

Formula:C20H21N2O4ClF2S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[(2-chloro-4,5-difluorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is a drug-like molecule.

MolName	ethyl 2-[(2-chloro-4,5-difluorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C20H21N2O4ClF2S
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(cc(c(F)c2)F)c2Cl)=O)s1)=O
InChI	InChI=1S/C20H21ClF2N2O4S/c1-5-25(6-2)19(27)16-10(4)15(20(28)29-7-3)18(30-16)24-17(26)11-8-13(22)14(23)9-12(11)21/h8-9H,5-7H2,1-4H3,(H,24,26)
InChIK	QJPXRZLDCAENPR-UHFFFAOYSA-N
TotalMolweight	458.912
Molweight	458.912
MonoisotopicMass	458.087861
CLogP	4.852
CLogS	-5.68
H Acceptors	6
H Donors	1
TotalSurfaceArea	332.41
Relative PSA	0.25417
PolarSurfaceArea	103.95
Druglikeness	1.2416
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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

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