2-methyl-1-[4-(5-methylthiophene-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[4-(5-methylthiophene-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
2-methyl-1-[4-(5-methylthiophene-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SA53-0549 |
| Compound Name: | 2-methyl-1-[4-(5-methylthiophene-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C18 H25 N5 O2 S |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(c1ccc(C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2739 |
| logD: | 2.2732 |
| logSw: | -2.7287 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.989 |
| InChI Key: | HGRHMTKKFRENIK-AWEZNQCLSA-N |