rel-(3R,4S)-4-acetamido-1-(2,4-dimethylbenzene-1-sulfonyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-4-acetamido-1-(2,4-dimethylbenzene-1-sulfonyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4S)-4-acetamido-1-(2,4-dimethylbenzene-1-sulfonyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S963-3923 |
| Compound Name: | rel-(3R,4S)-4-acetamido-1-(2,4-dimethylbenzene-1-sulfonyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C16 H23 N3 O4 S |
| Smiles: | CC(N[C@H]1CN(C[C@@H]1C(NC)=O)S(c1ccc(C)cc1C)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.3481 |
| logD: | 0.3481 |
| logSw: | -2.3673 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.525 |
| InChI Key: | CVJBPXCSTHTGKF-ZIAGYGMSSA-N |