1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]propan-1-one
1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]propan-1-one
Compound characteristics
| Compound ID: | G680-0006 |
| Compound Name: | 1-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]propan-1-one |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | CCC(n1c(C)c(c(C)n1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7235 |
| logD: | 1.7235 |
| logSw: | -2.3619 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.969 |
| InChI Key: | VQFFNXOVRVBZKK-UHFFFAOYSA-N |