benzyl 2-({3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}carbamoyl)pyrrolidine-1-carboxylate
Chemical Structure Depiction of
benzyl 2-({3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}carbamoyl)pyrrolidine-1-carboxylate
benzyl 2-({3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}carbamoyl)pyrrolidine-1-carboxylate
Compound characteristics
| Compound ID: | K953-0473 |
| Compound Name: | benzyl 2-({3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}carbamoyl)pyrrolidine-1-carboxylate |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C29 H31 N3 O6 |
| Smiles: | CC(C)c1ccc(C)cc1Oc1cc(cc(c1)[N+]([O-])=O)NC(C1CCCN1C(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6461 |
| logD: | 6.644 |
| logSw: | -5.5573 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.682 |
| InChI Key: | WXXIIEVECHWUPI-SANMLTNESA-N |