1-{4-[(furan-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[(furan-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one
1-{4-[(furan-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SA53-0599 |
| Compound Name: | 1-{4-[(furan-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C17 H25 N5 O2 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)Cc1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4085 |
| logD: | 1.2247 |
| logSw: | -1.962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.804 |
| InChI Key: | SUVDSUIEUNIACH-HNNXBMFYSA-N |