methyl 2-{[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D399-3212 |
| Compound Name: | methyl 2-{[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(N1CCCC1c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3768 |
| logD: | 4.0037 |
| logSw: | -4.3836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.929 |
| InChI Key: | CBYNNVUBIBPTOP-KRWDZBQOSA-N |