7-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-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-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-4965 |
| Compound Name: | 7-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 291.31 |
| Molecular Formula: | C13 H17 N5 O3 |
| Smiles: | Cc1c(CC(N2CCC3=NNC(N3CC2)=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 0.2146 |
| logD: | 0.2082 |
| logSw: | -0.4342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.084 |
| InChI Key: | WHKRZXVNPICAJJ-UHFFFAOYSA-N |