(2-bromophenyl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
(2-bromophenyl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methanone
(2-bromophenyl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | G680-0250 |
| Compound Name: | (2-bromophenyl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 474.37 |
| Molecular Formula: | C21 H20 Br N3 O3 S |
| Smiles: | Cc1c(c(C)n(C(c2ccccc2[Br])=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0137 |
| logD: | 3.0137 |
| logSw: | -3.4623 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.225 |
| InChI Key: | AGEJTTCDYHGOQQ-UHFFFAOYSA-N |