[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](furan-3-yl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](furan-3-yl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](furan-3-yl)methanone
Compound characteristics
| Compound ID: | SA53-0213 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](furan-3-yl)methanone |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(c2ccoc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8391 |
| logD: | 1.838 |
| logSw: | -2.0863 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.752 |
| InChI Key: | GEZMGJVHCSQLMZ-SFHVURJKSA-N |