[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](3,5-dinitrophenyl)methanone
Chemical Structure Depiction of
[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](3,5-dinitrophenyl)methanone
[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](3,5-dinitrophenyl)methanone
Compound characteristics
| Compound ID: | G680-0480 |
| Compound Name: | [4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](3,5-dinitrophenyl)methanone |
| Molecular Weight: | 485.47 |
| Molecular Formula: | C21 H19 N5 O7 S |
| Smiles: | Cc1c(c(C)n(C(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5854 |
| logD: | 2.5854 |
| logSw: | -2.93 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 125.988 |
| InChI Key: | IHWWKYGUGQPMJI-UHFFFAOYSA-N |