4-(azepane-1-carbonyl)-N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Compound characteristics
Compound ID: | G243-1881 |
Compound Name: | 4-(azepane-1-carbonyl)-N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide |
Molecular Weight: | 447.6 |
Molecular Formula: | C23 H33 N3 O4 S |
Smiles: | CCOc1ccccc1CNS(c1c(C(N2CCCCCC2)=O)c(C)n(C)c1C)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1447 |
logD: | 3.1416 |
logSw: | -3.4703 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.965 |
InChI Key: | VMZZLHNTAVHNBE-UHFFFAOYSA-N |