7-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0528 |
| Compound Name: | 7-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 312.35 |
| Molecular Formula: | C11 H16 N6 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCC2=NNC(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3135 |
| logD: | -0.32 |
| logSw: | -1.6498 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.138 |
| InChI Key: | WKCJZCYNZCLMQS-UHFFFAOYSA-N |