8-(benzenesulfonyl)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1163 |
| Compound Name: | 8-(benzenesulfonyl)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C25 H31 N5 O4 S |
| Smiles: | COc1ccccc1c1c(CN2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8698 |
| logD: | 0.9097 |
| logSw: | -2.9162 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.665 |
| InChI Key: | JCCUFNAGNZKUHK-UHFFFAOYSA-N |