rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-{[(4-methylphenyl)methanesulfonyl]amino}hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-{[(4-methylphenyl)methanesulfonyl]amino}hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-{[(4-methylphenyl)methanesulfonyl]amino}hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0516 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-{[(4-methylphenyl)methanesulfonyl]amino}hexahydrocyclopenta[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(Cc1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7429 |
| logD: | -0.1154 |
| logSw: | -3.1059 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.458 |
| InChI Key: | DTSIXJGHQIGWPO-GPXNEJASSA-N |