8-(methanesulfonyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0185 |
| Compound Name: | 8-(methanesulfonyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 511.64 |
| Molecular Formula: | C26 H33 N5 O4 S |
| Smiles: | COc1ccc(cc1)c1c(CN2CCCN(C(CC(NCC2)=O)c2ccccc2)S(C)(=O)=O)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0888 |
| logD: | 0.9056 |
| logSw: | -2.7611 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.541 |
| InChI Key: | VCPGMWIVTONDRL-DEOSSOPVSA-N |