8-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-benzyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Chemical Structure Depiction of
8-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-benzyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
8-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-benzyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Compound characteristics
| Compound ID: | SD18-0322 |
| Compound Name: | 8-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-benzyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C21 H27 N5 O4 |
| Smiles: | CC(N1CCCN(CC1)C(CC1C2=NN(Cc3ccccc3)C(N2CCO1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7563 |
| logD: | 0.7553 |
| logSw: | -1.3405 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.565 |
| InChI Key: | BPEMOHAKWRTXQU-SFHVURJKSA-N |