7-(2,3-dihydro-1,4-benzodioxine-6-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-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-methyl-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-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: | S636-1058 |
| Compound Name: | 7-(2,3-dihydro-1,4-benzodioxine-6-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: | 366.39 |
| Molecular Formula: | C15 H18 N4 O5 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(c1ccc2c(c1)OCCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3006 |
| logD: | 0.3006 |
| logSw: | -2.1212 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.808 |
| InChI Key: | GVBLIDVLXGVDMQ-UHFFFAOYSA-N |