N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,5-dinitrobenzamide
N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 3379-3442 |
| Compound Name: | N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,5-dinitrobenzamide |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C21 H23 N3 O7 |
| Smiles: | COc1ccc(cc1OC)C1(CCCC1)CNC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8237 |
| logD: | 3.8231 |
| logSw: | -4.1019 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.962 |
| InChI Key: | QZIGJPHBMDXUDU-UHFFFAOYSA-N |