7-(2,4-dimethoxybenzoyl)-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-(2,4-dimethoxybenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2,4-dimethoxybenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0063 |
| Compound Name: | 7-(2,4-dimethoxybenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 318.33 |
| Molecular Formula: | C15 H18 N4 O4 |
| Smiles: | COc1ccc(C(N2CCC3=NNC(N3CC2)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 0.9088 |
| logD: | 0.9023 |
| logSw: | -2.2751 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.747 |
| InChI Key: | DAEGWIJKBJRXMW-UHFFFAOYSA-N |