4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3291 |
| Compound Name: | 4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2178 |
| logD: | 4.1986 |
| logSw: | -4.3494 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.576 |
| InChI Key: | KPJICQPGENTSNR-UHFFFAOYSA-N |