9-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
9-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0536 |
| Compound Name: | 9-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C27 H34 N4 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1cccnc1)=O)C(N1CCC(=CC1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7619 |
| logD: | 1.6043 |
| logSw: | -1.6177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.22 |
| InChI Key: | OJYVOTZWTLPZIE-VWLOTQADSA-N |