methyl 2-[3-(4-bromophenyl)prop-2-enoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

Formula:C19H19N2O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none methyl 2-[3-(4-bromophenyl)prop-2-enoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is a drug-like molecule.

MolName	methyl 2-[3-(4-bromophenyl)prop-2-enoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C19H19N2O4BrS
Smiles	Cc1c(C(N(C)C)=O)sc(NC(C=Cc(cc2)ccc2Br)=O)c1C(OC)=O
InChI	InChI=1S/C19H19BrN2O4S/c1-11-15(19(25)26-4)17(27-16(11)18(24)22(2)3)21-14(23)10-7-12-5-8-13(20)9-6-12/h5-10H,1-4H3,(H,21,23)
InChIK	USHYEGUJEWYCNC-UHFFFAOYSA-N
TotalMolweight	451.34
Molweight	451.34
MonoisotopicMass	450.024889
CLogP	3.8799
CLogS	-4.62
H Acceptors	6
H Donors	1
TotalSurfaceArea	308.14
Relative PSA	0.27419
PolarSurfaceArea	103.95
Druglikeness	-0.1693
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	3
Amides	2
StereoCon

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1 - methyl 2-[3-(4-bromophenyl)prop-2-enoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate | 2 - methyl 2-[3-(4-bromophenyl)prop-2-enoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

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