methyl 4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzoate
methyl 4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K781-9881 |
| Compound Name: | methyl 4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzoate |
| Molecular Weight: | 394.83 |
| Molecular Formula: | C17 H15 Cl N2 O5 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0428 |
| logD: | 4.0428 |
| logSw: | -4.3864 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.693 |
| InChI Key: | GONSOQUGBSCLMF-UHFFFAOYSA-N |