1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0729 |
| Compound Name: | 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C26 H32 N6 O2 |
| Smiles: | Cc1cc(C(N2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5649 |
| logD: | 0.5405 |
| logSw: | -1.5107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.12 |
| InChI Key: | YNMJLXNYVZYNEB-QHCPKHFHSA-N |