{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | 3335-0283 |
| Compound Name: | {4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 477.38 |
| Molecular Formula: | C21 H21 Br N2 O4 S |
| Smiles: | Cc1c(c(C)n(C(c2cc(c(c(c2)OC)OC)OC)=O)n1)Sc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2153 |
| logD: | 4.2153 |
| logSw: | -4.4367 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.559 |
| InChI Key: | KMIRRGQCYBFYKL-UHFFFAOYSA-N |