5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(2-ethylphenyl)-N,2-dimethylbenzene-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)-N-(2-ethylphenyl)-N,2-dimethylbenzene-1-sulfonamide
5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(2-ethylphenyl)-N,2-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-2621 |
| Compound Name: | 5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(2-ethylphenyl)-N,2-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | CCc1ccccc1N(C)S(c1cc(ccc1C)c1c(CC)nn2C(CCC(Nc12)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7812 |
| logD: | 3.5059 |
| logSw: | -4.0953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.622 |
| InChI Key: | RJYRVCODVYUYHX-UHFFFAOYSA-N |