9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0599 |
| Compound Name: | 9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C27 H36 F N5 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1cccnc1)=O)C(N1CCN(CC1)Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8564 |
| logD: | 0.6989 |
| logSw: | -1.2759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.032 |
| InChI Key: | JWFKAJVMHXORLL-QHCPKHFHSA-N |