5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-(3-methylbutyl)benzene-1-sulfonamide
Chemical Structure Depiction of
5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-(3-methylbutyl)benzene-1-sulfonamide
5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-(3-methylbutyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-2466 |
| Compound Name: | 5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-(3-methylbutyl)benzene-1-sulfonamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(NCCC(C)C)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7725 |
| logD: | 2.4972 |
| logSw: | -3.2584 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.973 |
| InChI Key: | GGXGHAGKIGVQOZ-UHFFFAOYSA-N |