N-(3,4-dimethylphenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N,2-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N,2-dimethylbenzene-1-sulfonamide
N-(3,4-dimethylphenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N,2-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-2623 |
| Compound Name: | N-(3,4-dimethylphenyl)-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N,2-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(N(C)c2ccc(C)c(C)c2)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.153 |
| logD: | 3.8777 |
| logSw: | -4.2914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.923 |
| InChI Key: | NQZGTCMDLRFOLN-UHFFFAOYSA-N |