1-[3-(4-methoxyphenyl)propanoyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[3-(4-methoxyphenyl)propanoyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[3-(4-methoxyphenyl)propanoyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0631 |
| Compound Name: | 1-[3-(4-methoxyphenyl)propanoyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C30 H36 N4 O3 |
| Smiles: | COc1ccc(CCC(N2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4784 |
| logD: | 2.454 |
| logSw: | -2.5476 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.814 |
| InChI Key: | WHGUQCAASBPWJF-NDEPHWFRSA-N |