1-[(3-fluoro-2-hydroxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(3-fluoro-2-hydroxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(3-fluoro-2-hydroxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0774 |
| Compound Name: | 1-[(3-fluoro-2-hydroxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C27 H31 F N4 O2 |
| Smiles: | C1CN(CCNC(CC(c2ccccc2)N(C1)Cc1ccncc1)=O)Cc1cccc(c1O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7329 |
| logD: | 2.6893 |
| logSw: | -2.6034 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.361 |
| InChI Key: | GPCYDWVUNWFVAN-RUZDIDTESA-N |