methyl 2-{[2-(2-fluorophenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-fluorophenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(2-fluorophenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D399-3500 |
| Compound Name: | methyl 2-{[2-(2-fluorophenyl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C21 H23 F N2 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(N1CCCC1c1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5606 |
| logD: | 4.274 |
| logSw: | -4.4565 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.385 |
| InChI Key: | YFMSMJKPYGKYRF-INIZCTEOSA-N |