4-[(4-bromophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-5409 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 461.38 |
| Molecular Formula: | C21 H21 Br N2 O3 S |
| Smiles: | C1CCC(CCNC(c2ccc(c(c2)[N+]([O-])=O)Sc2ccc(cc2)[Br])=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.1776 |
| logD: | 6.1776 |
| logSw: | -6.0047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.494 |
| InChI Key: | FWPRXTIYQNQAHG-UHFFFAOYSA-N |