rel-(3R,4S)-1-benzyl-4-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}pyrrolidine-3-carboxylic acid
Chemical Structure Depiction of
rel-(3R,4S)-1-benzyl-4-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}pyrrolidine-3-carboxylic acid
rel-(3R,4S)-1-benzyl-4-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}pyrrolidine-3-carboxylic acid
Compound characteristics
| Compound ID: | S719-0150 |
| Compound Name: | rel-(3R,4S)-1-benzyl-4-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}pyrrolidine-3-carboxylic acid |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | Cc1c(CCN(C)C([C@H]2CN(Cc3ccccc3)C[C@H]2C(O)=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6235 |
| logD: | 0.6235 |
| logSw: | -1.8278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.58 |
| InChI Key: | ZBPCPHHOMBWYPL-UXHICEINSA-N |