1-(3-methoxybenzene-1-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(3-methoxybenzene-1-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(3-methoxybenzene-1-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0847 |
| Compound Name: | 1-(3-methoxybenzene-1-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | COc1cccc(c1)S(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2176 |
| logD: | 2.1931 |
| logSw: | -2.7994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.405 |
| InChI Key: | WOVBHCPWIMPWOL-SANMLTNESA-N |