9-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
9-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0648 |
| Compound Name: | 9-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C25 H32 N4 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1cccnc1)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1269 |
| logD: | 0.9694 |
| logSw: | -1.399 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.154 |
| InChI Key: | YTYOKJYVJWNLEY-QFIPXVFZSA-N |