(adamantan-1-yl)[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
(adamantan-1-yl)[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone
(adamantan-1-yl)[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | 3335-0099 |
| Compound Name: | (adamantan-1-yl)[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 366.52 |
| Molecular Formula: | C22 H26 N2 O S |
| Smiles: | Cc1c(c(C)n(C(C23CC4CC(CC(C4)C3)C2)=O)n1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1256 |
| logD: | 5.1256 |
| logSw: | -5.0786 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.614 |
| InChI Key: | UMFNPXYRPNKXAQ-UHFFFAOYSA-N |