methyl 4-({2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-({2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzoate
methyl 4-({2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzoate
Compound characteristics
| Compound ID: | K784-1051 |
| Compound Name: | methyl 4-({2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzoate |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C18 H24 N2 O5 S |
| Smiles: | CC1CCCC(C1C)NC(CSc1ccc(cc1[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6172 |
| logD: | 3.6172 |
| logSw: | -4.0287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.808 |
| InChI Key: | BBTRLXYJZWAPTM-UHFFFAOYSA-N |