methyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 3453-2095 |
Compound Name: | methyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
Molecular Weight: | 382.44 |
Molecular Formula: | C20 H18 N2 O4 S |
Smiles: | COC(c1c2CCCc2sc1NC(C(=C\c1ccc(cc1)OC)\C#N)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8565 |
logD: | -1.0725 |
logSw: | -4.4447 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.184 |
InChI Key: | MCNMIGCZDXGYSK-UHFFFAOYSA-N |