2-(2-methoxyethyl)-7-(3-methylpyridine-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(2-methoxyethyl)-7-(3-methylpyridine-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methoxyethyl)-7-(3-methylpyridine-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5085 |
| Compound Name: | 2-(2-methoxyethyl)-7-(3-methylpyridine-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C16 H21 N5 O3 |
| Smiles: | Cc1cccnc1C(N1CCC2=NN(CCOC)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4233 |
| logD: | 0.4233 |
| logSw: | -1.1083 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.383 |
| InChI Key: | BAHZMFGXBWKPBJ-UHFFFAOYSA-N |