benzyl rel-(3R,4R)-3-{[(benzyloxy)carbonyl]amino}-4-(2-methoxy-2-oxoethyl)-4,5-dihydro-3H-pyrazole-3-carboxylate
Chemical Structure Depiction of
benzyl rel-(3R,4R)-3-{[(benzyloxy)carbonyl]amino}-4-(2-methoxy-2-oxoethyl)-4,5-dihydro-3H-pyrazole-3-carboxylate
benzyl rel-(3R,4R)-3-{[(benzyloxy)carbonyl]amino}-4-(2-methoxy-2-oxoethyl)-4,5-dihydro-3H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 1500-0293 |
| Compound Name: | benzyl rel-(3R,4R)-3-{[(benzyloxy)carbonyl]amino}-4-(2-methoxy-2-oxoethyl)-4,5-dihydro-3H-pyrazole-3-carboxylate |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C22 H23 N3 O6 |
| Smiles: | [H][C@@]1(CC(=O)OC)CN=N[C@]1(C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5714 |
| logD: | 3.5714 |
| logSw: | -3.5332 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.187 |
| InChI Key: | FFNWZUULGQZUMN-AVRDEDQJSA-N |