rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(pyrimidine-2-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(pyrimidine-2-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(pyrimidine-2-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0470 |
| Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-N-methyl-5-[(pyrimidine-2-carbonyl)amino]hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3069 |
| logD: | -2.9795 |
| logSw: | -1.6554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.708 |
| InChI Key: | BMLYNXFJJAKJFI-WWMYMODYSA-N |