8-(cyclopropanecarbonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0546 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C22 H29 N5 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(C(CC(NCC1)=O)c1ccccc1)C(C1CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4959 |
| logD: | 0.4959 |
| logSw: | -2.2772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.117 |
| InChI Key: | REBKDNCBVCTEDI-LJQANCHMSA-N |