8-(benzenesulfonyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1176 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C21 H31 N5 O3 S |
| Smiles: | CCn1cc(CN2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.7021 |
| logD: | -3.3897 |
| logSw: | -2.2275 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.699 |
| InChI Key: | CCZORQIXHNHOSB-UHFFFAOYSA-N |