N-[2-(azepan-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
N-[2-(azepan-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
Compound characteristics
| Compound ID: | F062-0063 |
| Compound Name: | N-[2-(azepan-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | Cc1ccc(cc1)N(CC(N1CCCCCC1)=O)S(c1c(C)nn(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0878 |
| logD: | 2.0878 |
| logSw: | -2.6451 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.355 |
| InChI Key: | ORCQBOAPFCJTAJ-UHFFFAOYSA-N |