3,5-dinitro-N-{4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl}benzamide
Chemical Structure Depiction of
3,5-dinitro-N-{4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl}benzamide
3,5-dinitro-N-{4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl}benzamide
Compound characteristics
| Compound ID: | V015-3722 |
| Compound Name: | 3,5-dinitro-N-{4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl}benzamide |
| Molecular Weight: | 511.58 |
| Molecular Formula: | C26 H33 N5 O6 |
| Salt: | not_available |
| Smiles: | CC(CC(N1CCN(CC1)c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0489 |
| logD: | 5.0299 |
| logSw: | -4.7159 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.745 |
| InChI Key: | XVRCKFHDLHTBDJ-GOSISDBHSA-N |