9-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
9-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0604 |
| Compound Name: | 9-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C28 H39 N5 O2 |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(C2CCCN(CCC(NCC2)=O)Cc2cccnc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9853 |
| logD: | 0.8272 |
| logSw: | -1.1725 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.032 |
| InChI Key: | IOZWIFAMKDJQON-SANMLTNESA-N |