9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0516 |
| Compound Name: | 9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C28 H39 N5 O2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(C1CCCN(CCC(NCC1)=O)Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0045 |
| logD: | 1.847 |
| logSw: | -1.8115 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.451 |
| InChI Key: | GIJBXZVIYOQWDN-VWLOTQADSA-N |