[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2-nitrophenyl)methanone
[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | G680-0417 |
| Compound Name: | [4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2-nitrophenyl)methanone |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | Cc1c(c(C)n(C(c2ccccc2[N+]([O-])=O)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1307 |
| logD: | 2.1307 |
| logSw: | -2.881 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.306 |
| InChI Key: | IJJQBAMIQXJASA-UHFFFAOYSA-N |