1-(1-ethyl-1H-pyrazole-4-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(1-ethyl-1H-pyrazole-4-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(1-ethyl-1H-pyrazole-4-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0859 |
| Compound Name: | 1-(1-ethyl-1H-pyrazole-4-sulfonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C25 H32 N6 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6937 |
| logD: | 0.6693 |
| logSw: | -2.006 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.363 |
| InChI Key: | VXBHNBZNASRXSP-XMMPIXPASA-N |