1-[(4-methyl-1,3-thiazol-5-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0760 |
| Compound Name: | 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 449.62 |
| Molecular Formula: | C25 H31 N5 O S |
| Smiles: | Cc1c(CN2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)scn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9389 |
| logD: | 1.8211 |
| logSw: | -2.293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.087 |
| InChI Key: | GRUJQIBISWDDHO-HSZRJFAPSA-N |