rel-(9aR,13aR)-12-[(3-fluoro-2-hydroxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aR)-12-[(3-fluoro-2-hydroxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aR)-12-[(3-fluoro-2-hydroxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S792-0178 |
| Compound Name: | rel-(9aR,13aR)-12-[(3-fluoro-2-hydroxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C25 H33 F N4 O2 |
| Smiles: | C1CCCN(Cc2ccncc2)[C@@H]2CN(CC[C@@H]2C(NCC1)=O)Cc1cccc(c1O)F |
| Stereo: | RELATIVE |
| logP: | 2.3756 |
| logD: | 1.5863 |
| logSw: | -2.6061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.139 |
| InChI Key: | GPMAMYDADYHZQM-GMAHTHKFSA-N |