methyl 4-[(4-methoxyphenyl)sulfanyl]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(4-methoxyphenyl)sulfanyl]-3-nitrobenzoate
methyl 4-[(4-methoxyphenyl)sulfanyl]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K780-0175 |
| Compound Name: | methyl 4-[(4-methoxyphenyl)sulfanyl]-3-nitrobenzoate |
| Molecular Weight: | 319.33 |
| Molecular Formula: | C15 H13 N O5 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4957 |
| logD: | 4.4957 |
| logSw: | -4.4879 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.765 |
| InChI Key: | WKSWQBTYGZQAIY-UHFFFAOYSA-N |