7-[(benzyloxy)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-[(benzyloxy)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(benzyloxy)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: | S636-0225 |
| Compound Name: | 7-[(benzyloxy)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C15 H18 N4 O3 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(COCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6549 |
| logD: | 0.6485 |
| logSw: | -1.4814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.48 |
| InChI Key: | HTEPTRPLWKIHTB-UHFFFAOYSA-N |