1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(furan-2-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(furan-2-yl)prop-2-en-1-one
1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(furan-2-yl)prop-2-en-1-one
Compound characteristics
Compound ID: | F897-1063 |
Compound Name: | 1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-3-(furan-2-yl)prop-2-en-1-one |
Molecular Weight: | 406.5 |
Molecular Formula: | C19 H26 N4 O4 S |
Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(/C=C/c1ccco1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.248 |
logD: | 1.248 |
logSw: | -2.1759 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 70.649 |
InChI Key: | PTSNKBSJMICZSO-UHFFFAOYSA-N |