{4-[(furan-3-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-[(furan-3-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(phenyl)methanone
{4-[(furan-3-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | SA53-0953 |
| Compound Name: | {4-[(furan-3-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(phenyl)methanone |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)Cc2ccoc2)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5671 |
| logD: | 0.5949 |
| logSw: | -2.0655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.586 |
| InChI Key: | XSVLLBGYRLZYIJ-SFHVURJKSA-N |