rel-(3R,4S)-1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid
Chemical Structure Depiction of
rel-(3R,4S)-1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid
rel-(3R,4S)-1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid
Compound characteristics
| Compound ID: | S719-0153 |
| Compound Name: | rel-(3R,4S)-1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H32 N4 O3 |
| Smiles: | CN1CCN(CC1)c1ccc(CNC([C@H]2CN(Cc3ccccc3)C[C@H]2C(O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1252 |
| logD: | 1.1252 |
| logSw: | -2.1873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.954 |
| InChI Key: | YXODOZICLNNGAG-PKTZIBPZSA-N |