5-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Chemical Structure Depiction of
5-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
5-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Compound characteristics
Compound ID: | T202-0108 |
Compound Name: | 5-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine |
Molecular Weight: | 439.46 |
Molecular Formula: | C19 H20 F3 N5 O2 S |
Smiles: | CCn1cc(cn1)S(N1CCCn2c(C1)cc(c1ccc(cc1)C(F)(F)F)n2)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7769 |
logD: | 2.7769 |
logSw: | -3.0919 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 59.982 |
InChI Key: | GAYAXLIRMLTFJG-UHFFFAOYSA-N |