2-chloro-N-{4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-{4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl}-4-nitrobenzamide
2-chloro-N-{4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V028-0101 |
| Compound Name: | 2-chloro-N-{4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C23 H27 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(CC)C(N1CCN(CC1)c1ccc(cc1)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7183 |
| logD: | 4.7166 |
| logSw: | -5.0189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.891 |
| InChI Key: | SHRTYXUPBLQOAL-UHFFFAOYSA-N |