[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](3-nitrophenyl)methanone
[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](3-nitrophenyl)methanone
Compound characteristics
Compound ID: | G680-0298 |
Compound Name: | [4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](3-nitrophenyl)methanone |
Molecular Weight: | 440.48 |
Molecular Formula: | C21 H20 N4 O5 S |
Smiles: | Cc1c(c(C)n(C(c2cccc(c2)[N+]([O-])=O)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5484 |
logD: | 2.5484 |
logSw: | -2.7503 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 92.607 |
InChI Key: | QRCAZEHVDVMVTD-UHFFFAOYSA-N |