8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1-(phenylmethanesulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1-(phenylmethanesulfonyl)-1,4,8-triazacycloundecan-5-one
8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1-(phenylmethanesulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-1127 |
| Compound Name: | 8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1-(phenylmethanesulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C25 H31 N5 O5 S2 |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)S(Cc1ccccc1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.965 |
| logD: | 0.965 |
| logSw: | -2.24 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.328 |
| InChI Key: | IIAITOXHNUMUJT-QHCPKHFHSA-N |