rel-(3R,4S)-4-acetamido-1-(4-ethylbenzene-1-sulfonyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-4-acetamido-1-(4-ethylbenzene-1-sulfonyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4S)-4-acetamido-1-(4-ethylbenzene-1-sulfonyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S963-3698 |
| Compound Name: | rel-(3R,4S)-4-acetamido-1-(4-ethylbenzene-1-sulfonyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C16 H23 N3 O4 S |
| Smiles: | CCc1ccc(cc1)S(N1C[C@H](C(NC)=O)[C@H](C1)NC(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4359 |
| logD: | 0.4359 |
| logSw: | -2.5152 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.525 |
| InChI Key: | IICIJAFARKCJHV-HUUCEWRRSA-N |