rel-(3aR,5S,6aR)-2-benzyl-5-[(3-methoxyphenyl)carbamamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-5-[(3-methoxyphenyl)carbamamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-5-[(3-methoxyphenyl)carbamamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0498 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-5-[(3-methoxyphenyl)carbamamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C24 H30 N4 O3 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(Nc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8072 |
| logD: | -0.4792 |
| logSw: | -3.3231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.028 |
| InChI Key: | WLVKAFUYPWVAMS-WWEVIYMKSA-N |