2-[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
2-[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | M333-0085 |
| Compound Name: | 2-[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonyl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C18 H19 N3 O2 S2 |
| Smiles: | Cc1cc(c2cc(c(C)s2)S(N2CCc3ccccc3C2)(=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.99 |
| logD: | 3.9854 |
| logSw: | -4.0483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.926 |
| InChI Key: | ZWQYBOOZNFWUOE-UHFFFAOYSA-N |