1-[(5-methylfuran-2-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(5-methylfuran-2-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(5-methylfuran-2-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0741 |
| Compound Name: | 1-[(5-methylfuran-2-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C26 H32 N4 O2 |
| Smiles: | Cc1ccc(CN2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3901 |
| logD: | 2.0803 |
| logSw: | -2.5593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.145 |
| InChI Key: | SPWOKEGEGAMYFQ-VWLOTQADSA-N |