[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Chemical Structure Depiction of
[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Compound characteristics
| Compound ID: | G680-0452 |
| Compound Name: | [4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C23 H25 N3 O3 S2 |
| Smiles: | Cc1c(c(C)n(C(c2cc3CCCCc3s2)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7896 |
| logD: | 3.7896 |
| logSw: | -3.8193 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.164 |
| InChI Key: | CLPUGUKMEYWDSB-UHFFFAOYSA-N |