1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0657 |
| Compound Name: | 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C26 H31 N5 O2 S |
| Smiles: | Cc1c(C(N2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9324 |
| logD: | 1.9079 |
| logSw: | -2.3403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.187 |
| InChI Key: | NHVLEYKGYJOTFR-HSZRJFAPSA-N |