7-phenyl-1-propanoyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
7-phenyl-1-propanoyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
7-phenyl-1-propanoyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0685 |
| Compound Name: | 7-phenyl-1-propanoyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C23 H30 N4 O2 |
| Smiles: | CCC(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.12 |
| logD: | 1.0955 |
| logSw: | -1.6431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.542 |
| InChI Key: | DCYQOOJNIFBPKT-NRFANRHFSA-N |