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

Formula:C20H23N2O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[(4-bromobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is a drug-like molecule.

MolName	ethyl 2-[(4-bromobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C20H23N2O4BrS
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(cc2)ccc2Br)=O)s1)=O
InChI	InChI=1S/C20H23BrN2O4S/c1-5-23(6-2)19(25)16-12(4)15(20(26)27-7-3)18(28-16)22-17(24)13-8-10-14(21)11-9-13/h8-11H,5-7H2,1-4H3,(H,22,24)
InChIK	IGWQAWASTUKAKV-UHFFFAOYSA-N
TotalMolweight	467.383
Molweight	467.383
MonoisotopicMass	466.056189
CLogP	4.7696
CLogS	-5.15
H Acceptors	6
H Donors	1
TotalSurfaceArea	322.92
Relative PSA	0.26164
PolarSurfaceArea	103.95
Druglikeness	0.72844
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amides	2
StereoCon

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