8-(methanesulfonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0063 |
| Compound Name: | 8-(methanesulfonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | Cc1c(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)S(C)(=O)=O)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0739 |
| logD: | 0.0739 |
| logSw: | -2.2108 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.638 |
| InChI Key: | TZMXYJTTYKJJSN-KRWDZBQOSA-N |