1-[(3-fluorophenyl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[(3-fluorophenyl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0154 |
| Compound Name: | 1-[(3-fluorophenyl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 433.54 |
| Molecular Formula: | C22 H28 F N3 O3 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)Cc1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.098 |
| logD: | 2.0037 |
| logSw: | -2.9506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.808 |
| InChI Key: | QHICUWUEFACDFM-NRFANRHFSA-N |