7-(3,4-dimethoxybenzene-1-sulfonyl)-2-(2-methylpropyl)-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-(3,4-dimethoxybenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(3,4-dimethoxybenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-3490 |
| Compound Name: | 7-(3,4-dimethoxybenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C18 H26 N4 O5 S |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1797 |
| logD: | 2.1794 |
| logSw: | -2.6363 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.567 |
| InChI Key: | ZFBKBJUWLVHMRC-UHFFFAOYSA-N |