[4-(furan-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-(furan-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(furan-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1026 |
| Compound Name: | [4-(furan-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C19 H20 N6 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(c2ccco2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2433 |
| logD: | 0.2403 |
| logSw: | -0.8119 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.706 |
| InChI Key: | IGZUFGBQZRGHDT-HNNXBMFYSA-N |