(adamantan-1-yl)[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
(adamantan-1-yl)[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
(adamantan-1-yl)[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | 2085-0039 |
| Compound Name: | (adamantan-1-yl)[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | COc1ccc(cc1)C1CC(c2cccc(c2)[N+]([O-])=O)N(C(C23CC4CC(CC(C4)C3)C2)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6148 |
| logD: | 6.6148 |
| logSw: | -5.7325 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.073 |
| InChI Key: | XGRSCRROXLPISY-OQAHHZTMSA-N |