2-benzyl-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
2-benzyl-7-[(benzyloxy)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-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: | S636-3129 |
| Compound Name: | 2-benzyl-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: | 392.46 |
| Molecular Formula: | C22 H24 N4 O3 |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)C(COCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2562 |
| logD: | 2.2562 |
| logSw: | -2.294 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.879 |
| InChI Key: | PKGSJJYUYQIVGQ-UHFFFAOYSA-N |