7-(2,3-dihydro-1,4-benzodioxine-6-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-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2,3-dihydro-1,4-benzodioxine-6-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: | S636-0526 |
| Compound Name: | 7-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C14 H16 N4 O5 S |
| Smiles: | C1CN(CCN2C1=NNC2=O)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2746 |
| logD: | 0.2682 |
| logSw: | -2.425 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.459 |
| InChI Key: | OGRYHPFWUAOAMP-UHFFFAOYSA-N |