methyl 4-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzoate
methyl 4-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K781-9854 |
| Compound Name: | methyl 4-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzoate |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C18 H17 Cl N2 O5 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6302 |
| logD: | 3.6302 |
| logSw: | -4.306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.534 |
| InChI Key: | LQCUGIRADOIPCR-UHFFFAOYSA-N |