5-(5,8-dioxo-2-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-[4-(methylsulfanyl)phenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
5-(5,8-dioxo-2-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-[4-(methylsulfanyl)phenyl]benzene-1-sulfonamide
5-(5,8-dioxo-2-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-[4-(methylsulfanyl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-6031 |
| Compound Name: | 5-(5,8-dioxo-2-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-[4-(methylsulfanyl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C24 H26 N4 O4 S2 |
| Smiles: | CCCc1c(c2ccc(C)c(c2)S(Nc2ccc(cc2)SC)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9226 |
| logD: | 3.4815 |
| logSw: | -4.2326 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.752 |
| InChI Key: | AQPPCEJRPLCRTA-UHFFFAOYSA-N |