(adamantan-1-yl){4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}methanone
Chemical Structure Depiction of
(adamantan-1-yl){4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}methanone
(adamantan-1-yl){4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}methanone
Compound characteristics
| Compound ID: | 3335-0272 |
| Compound Name: | (adamantan-1-yl){4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}methanone |
| Molecular Weight: | 445.42 |
| Molecular Formula: | C22 H25 Br N2 O S |
| Smiles: | Cc1c(c(C)n(C(C23CC4CC(CC(C4)C3)C2)=O)n1)Sc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.1446 |
| logD: | 6.1446 |
| logSw: | -5.568 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.614 |
| InChI Key: | LMBSFQJRIKIEQU-UHFFFAOYSA-N |