1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-4-phenylbutan-1-one
1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | SA53-1102 |
| Compound Name: | 1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H28 N6 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(CCCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0269 |
| logD: | 2.0239 |
| logSw: | -1.9803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.6 |
| InChI Key: | GLOAJUZSQDCUKC-NRFANRHFSA-N |