1-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}azepane
Chemical Structure Depiction of
1-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}azepane
1-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}azepane
Compound characteristics
| Compound ID: | M089-0061 |
| Compound Name: | 1-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}azepane |
| Molecular Weight: | 393.45 |
| Molecular Formula: | C15 H18 F3 N3 O2 S2 |
| Smiles: | Cc1c(cc(c2cc(C(F)(F)F)[nH]n2)s1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2592 |
| logD: | 4.2521 |
| logSw: | -4.1333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.789 |
| InChI Key: | JUNWNSKZHZTBEJ-UHFFFAOYSA-N |