[1-(4-bromobenzene-1-sulfonyl)pyrrolidin-2-yl][3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
[1-(4-bromobenzene-1-sulfonyl)pyrrolidin-2-yl][3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone
[1-(4-bromobenzene-1-sulfonyl)pyrrolidin-2-yl][3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone
Compound characteristics
Compound ID: | 5795-0012 |
Compound Name: | [1-(4-bromobenzene-1-sulfonyl)pyrrolidin-2-yl][3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone |
Molecular Weight: | 520.47 |
Molecular Formula: | C22 H22 Br N3 O3 S2 |
Smiles: | Cc1c(c(C)n(C(C2CCCN2S(c2ccc(cc2)[Br])(=O)=O)=O)n1)Sc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8803 |
logD: | 3.8803 |
logSw: | -3.9492 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 60.129 |
InChI Key: | GQVYTNJWCUAVBU-FQEVSTJZSA-N |