1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SA53-0569 |
| Compound Name: | 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C18 H26 N6 O2 S |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(c1c(C)nc(C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.526 |
| logD: | 1.5253 |
| logSw: | -2.1251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.359 |
| InChI Key: | DVVWEZWCRGDZJQ-AWEZNQCLSA-N |