1-[(2,4-difluorophenyl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(2,4-difluorophenyl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[(2,4-difluorophenyl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0158 |
| Compound Name: | 1-[(2,4-difluorophenyl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C22 H27 F2 N3 O3 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)Cc1ccc(cc1F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3097 |
| logD: | 2.2799 |
| logSw: | -2.9832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.808 |
| InChI Key: | JINFWWDEOAUPPC-NRFANRHFSA-N |