3-(2-methoxyphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
3-(2-methoxyphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
3-(2-methoxyphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SA53-1028 |
| Compound Name: | 3-(2-methoxyphenyl)-1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C24 H28 N6 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(CCc2ccccc2OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4339 |
| logD: | 1.4308 |
| logSw: | -1.4231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.23 |
| InChI Key: | MESWYYPADUNGBP-FQEVSTJZSA-N |