N-(2-ethoxyphenyl)-3-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]propanamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-3-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]propanamide
N-(2-ethoxyphenyl)-3-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]propanamide
Compound characteristics
| Compound ID: | K940-0445 |
| Compound Name: | N-(2-ethoxyphenyl)-3-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]propanamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C21 H26 N4 O6 S |
| Smiles: | CCOc1ccccc1NC(CCN1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3244 |
| logD: | 2.3214 |
| logSw: | -2.9991 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.511 |
| InChI Key: | KJCYKXPYBCJQEQ-UHFFFAOYSA-N |