1-(1-methyl-1H-pyrazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(1-methyl-1H-pyrazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(1-methyl-1H-pyrazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0716 |
| Compound Name: | 1-(1-methyl-1H-pyrazole-5-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C25 H30 N6 O2 |
| Smiles: | Cn1c(ccn1)C(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4586 |
| logD: | 0.4342 |
| logSw: | -1.2712 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.448 |
| InChI Key: | FQYPGQWBGUIPDB-QHCPKHFHSA-N |