rel-(3aR,5S,6aR)-2-benzyl-5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-2-benzyl-5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-2-benzyl-5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
Compound ID: | SD64-0494 |
Compound Name: | rel-(3aR,5S,6aR)-2-benzyl-5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
Molecular Weight: | 409.53 |
Molecular Formula: | C23 H31 N5 O2 |
Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(Cn1c(C)cc(C)n1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.8563 |
logD: | -2.4301 |
logSw: | -1.9374 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.066 |
InChI Key: | GCTXWHLSCSWUFT-MZKRTTBSSA-N |