2-benzyl-7-[(3-methylphenoxy)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-methylphenoxy)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-methylphenoxy)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: | S636-3111 |
| Compound Name: | 2-benzyl-7-[(3-methylphenoxy)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: | Cc1cccc(c1)OCC(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7001 |
| logD: | 2.7001 |
| logSw: | -2.8178 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.944 |
| InChI Key: | PNZQCOMTDCRHHI-UHFFFAOYSA-N |