2-(4-chlorophenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-chlorophenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA53-0973 |
| Compound Name: | 2-(4-chlorophenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 438.92 |
| Molecular Formula: | C22 H23 Cl N6 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(Cc2ccc(cc2)[Cl])=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7318 |
| logD: | 1.7288 |
| logSw: | -2.6762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.6 |
| InChI Key: | OLZZWKKPAZZZOP-IBGZPJMESA-N |