1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0659 |
| Compound Name: | 1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | Cc1c(C(N2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7291 |
| logD: | 0.7047 |
| logSw: | -1.2923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.712 |
| InChI Key: | OYWMUAAGBPZWBZ-QFIPXVFZSA-N |