3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-N,N-diethylbenzene-1-sulfonamide
Chemical Structure Depiction of
3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-N,N-diethylbenzene-1-sulfonamide
3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-N,N-diethylbenzene-1-sulfonamide
Compound characteristics
Compound ID: | G680-0489 |
Compound Name: | 3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-N,N-diethylbenzene-1-sulfonamide |
Molecular Weight: | 496.65 |
Molecular Formula: | C22 H32 N4 O5 S2 |
Smiles: | CCN(CC)S(c1cccc(c1)C(n1c(C)c(c(C)n1)S(N1CCCCCC1)(=O)=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0644 |
logD: | 2.0644 |
logSw: | -2.5059 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 90.991 |
InChI Key: | MLNMTNFGWRUBHM-UHFFFAOYSA-N |