methyl 2-{[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D399-2924 |
| Compound Name: | methyl 2-{[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 418.94 |
| Molecular Formula: | C21 H23 Cl N2 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(N1CCCC1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9891 |
| logD: | 4.6161 |
| logSw: | -5.4569 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.385 |
| InChI Key: | YELLTGMAGMBBPX-INIZCTEOSA-N |