8-(methanesulfonyl)-1-(1-methyl-1H-imidazole-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-(1-methyl-1H-imidazole-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-(1-methyl-1H-imidazole-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0136 |
| Compound Name: | 8-(methanesulfonyl)-1-(1-methyl-1H-imidazole-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C20 H27 N5 O4 S |
| Smiles: | Cn1ccnc1C(N1CCCN(C(CC(NCC1)=O)c1ccccc1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3083 |
| logD: | -0.3083 |
| logSw: | -2.1637 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.06 |
| InChI Key: | NYWMNSDFVMNQLW-KRWDZBQOSA-N |