1-[(3-fluorophenyl)acetyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(3-fluorophenyl)acetyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[(3-fluorophenyl)acetyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0023 |
| Compound Name: | 1-[(3-fluorophenyl)acetyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 461.55 |
| Molecular Formula: | C23 H28 F N3 O4 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)C(Cc1cccc(c1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6998 |
| logD: | 1.6998 |
| logSw: | -2.5342 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.196 |
| InChI Key: | FHCLGPQKDGBXEL-NRFANRHFSA-N |