1-[(azepan-1-yl)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(azepan-1-yl)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(azepan-1-yl)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0733 |
| Compound Name: | 1-[(azepan-1-yl)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C28 H39 N5 O2 |
| Smiles: | C1CCCN(CC1)CC(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4939 |
| logD: | 0.972 |
| logSw: | -1.6111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.606 |
| InChI Key: | FOGQTANPCSOYNJ-SANMLTNESA-N |