methyl 4-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-nitrobenzoate
methyl 4-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-nitrobenzoate
Compound characteristics
| Compound ID: | K784-1055 |
| Compound Name: | methyl 4-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-3-nitrobenzoate |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C16 H20 N2 O5 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)SCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4754 |
| logD: | 3.4754 |
| logSw: | -4.0108 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.418 |
| InChI Key: | RULRIFKPXKSRTF-UHFFFAOYSA-N |