1-(5-methylthiophene-2-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(5-methylthiophene-2-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(5-methylthiophene-2-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0622 |
| Compound Name: | 1-(5-methylthiophene-2-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | Cc1ccc(C(N2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6802 |
| logD: | 2.6558 |
| logSw: | -2.821 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.816 |
| InChI Key: | KKKMYJVJJJUKLX-HSZRJFAPSA-N |