rel-(9aR,12aS)-1-[(3,4-difluorophenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(3,4-difluorophenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(3,4-difluorophenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0161 |
| Compound Name: | rel-(9aR,12aS)-1-[(3,4-difluorophenyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 336.42 |
| Molecular Formula: | C19 H26 F2 N2 O |
| Smiles: | C1CCCN(Cc2ccc(c(c2)F)F)[C@H]2CCC[C@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0087 |
| logD: | 2.6372 |
| logSw: | -3.0743 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.124 |
| InChI Key: | XFCKQSGNFZIWHS-QAPCUYQASA-N |