7-[(4-ethoxy-3-methoxyphenyl)methyl]-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-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(4-ethoxy-3-methoxyphenyl)methyl]-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: | S636-0784 |
| Compound Name: | 7-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C17 H24 N4 O3 |
| Smiles: | CCOc1ccc(CN2CCC3=NN(C)C(N3CC2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.4278 |
| logD: | -0.8333 |
| logSw: | -1.9094 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.848 |
| InChI Key: | LYZXNKBXIIRUJO-UHFFFAOYSA-N |