7-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-methyl-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-methyl-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-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1060 |
| Compound Name: | 7-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C12 H18 N6 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCC2=NN(C)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2875 |
| logD: | -0.2876 |
| logSw: | -1.0484 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.487 |
| InChI Key: | XLRWSOFKWAQQRN-UHFFFAOYSA-N |