2-benzyl-7-[(3-methoxyphenyl)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-[(3-methoxyphenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-[(3-methoxyphenyl)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: | S636-3010 |
| Compound Name: | 2-benzyl-7-[(3-methoxyphenyl)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: | COc1cccc(CC(N2CCC3=NN(Cc4ccccc4)C(N3CC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8079 |
| logD: | 2.8079 |
| logSw: | -3.2407 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.988 |
| InChI Key: | YFPQEZGISRCEFT-UHFFFAOYSA-N |