benzyl 2-({3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}carbamoyl)pyrrolidine-1-carboxylate
Chemical Structure Depiction of
benzyl 2-({3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}carbamoyl)pyrrolidine-1-carboxylate
benzyl 2-({3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}carbamoyl)pyrrolidine-1-carboxylate
Compound characteristics
| Compound ID: | K953-0471 |
| Compound Name: | benzyl 2-({3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}carbamoyl)pyrrolidine-1-carboxylate |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C25 H22 F N3 O5 S |
| Smiles: | C1CC(C(Nc2cc(cc(c2)Sc2ccc(cc2)F)[N+]([O-])=O)=O)N(C1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6261 |
| logD: | 5.6258 |
| logSw: | -5.7755 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.576 |
| InChI Key: | AFGSRKFKPFHNGR-QHCPKHFHSA-N |