7-acetyl-2-benzyl-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-acetyl-2-benzyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-acetyl-2-benzyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3119 |
| Compound Name: | 7-acetyl-2-benzyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C15 H18 N4 O2 |
| Smiles: | CC(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2786 |
| logD: | 1.2786 |
| logSw: | -1.6151 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.711 |
| InChI Key: | PRPSKXSGSFCFNO-UHFFFAOYSA-N |