methyl 4-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}benzoate
methyl 4-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D399-2826 |
| Compound Name: | methyl 4-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(N1CCCC1c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1764 |
| logD: | 3.1764 |
| logSw: | -3.4773 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.688 |
| InChI Key: | BFXJUDARKJFIFO-AWEZNQCLSA-N |