1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0201 |
| Compound Name: | 1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C22 H33 N5 O3 S |
| Smiles: | CCn1cc(CN2CCCN(C(CC(NCC2)=O)c2ccccc2)S(C)(=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7945 |
| logD: | -3.2802 |
| logSw: | -2.1647 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.663 |
| InChI Key: | ACWFJZGIIZHAIX-NRFANRHFSA-N |