N-(3,5-dimethylphenyl)-5-(5,8-dioxo-2-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-5-(5,8-dioxo-2-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxybenzene-1-sulfonamide
N-(3,5-dimethylphenyl)-5-(5,8-dioxo-2-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-6184 |
| Compound Name: | N-(3,5-dimethylphenyl)-5-(5,8-dioxo-2-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CCCc1c(c2ccc(c(c2)S(Nc2cc(C)cc(C)c2)(=O)=O)OC)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1831 |
| logD: | 2.9078 |
| logSw: | -3.5754 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.382 |
| InChI Key: | VTDCESPIVKLHRF-UHFFFAOYSA-N |