rel-(3aR,5S,6aR)-2-benzyl-5-[(2-ethylbenzene-1-sulfonyl)amino]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-5-[(2-ethylbenzene-1-sulfonyl)amino]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-5-[(2-ethylbenzene-1-sulfonyl)amino]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0511 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-5-[(2-ethylbenzene-1-sulfonyl)amino]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C24 H31 N3 O3 S |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NS(c1ccccc1CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1432 |
| logD: | 0.2848 |
| logSw: | -3.298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.831 |
| InChI Key: | XGUPSIZYTJEBLN-DPLHUUCSSA-N |