methyl 3-nitro-5-{[2-(phenylsulfanyl)phenyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[2-(phenylsulfanyl)phenyl]carbamoyl}benzoate
methyl 3-nitro-5-{[2-(phenylsulfanyl)phenyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-3775 |
| Compound Name: | methyl 3-nitro-5-{[2-(phenylsulfanyl)phenyl]carbamoyl}benzoate |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C21 H16 N2 O5 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccccc1Sc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8737 |
| logD: | 4.8736 |
| logSw: | -4.7097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.916 |
| InChI Key: | UOWBAJLZTYUQEQ-UHFFFAOYSA-N |