7-(2,4-dimethoxybenzoyl)-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-(2,4-dimethoxybenzoyl)-2-methyl-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-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: | S636-0595 |
| Compound Name: | 7-(2,4-dimethoxybenzoyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C16 H20 N4 O4 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(c1ccc(cc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9347 |
| logD: | 0.9347 |
| logSw: | -2.0646 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.097 |
| InChI Key: | WPTOGLYNUXOKEY-UHFFFAOYSA-N |