1-(3,5-dimethyl-1-{4-[(propan-2-yl)oxy]benzene-1-sulfonyl}-1H-pyrazole-4-sulfonyl)azepane
Chemical Structure Depiction of
1-(3,5-dimethyl-1-{4-[(propan-2-yl)oxy]benzene-1-sulfonyl}-1H-pyrazole-4-sulfonyl)azepane
1-(3,5-dimethyl-1-{4-[(propan-2-yl)oxy]benzene-1-sulfonyl}-1H-pyrazole-4-sulfonyl)azepane
Compound characteristics
| Compound ID: | G680-0709 |
| Compound Name: | 1-(3,5-dimethyl-1-{4-[(propan-2-yl)oxy]benzene-1-sulfonyl}-1H-pyrazole-4-sulfonyl)azepane |
| Molecular Weight: | 455.59 |
| Molecular Formula: | C20 H29 N3 O5 S2 |
| Smiles: | CC(C)Oc1ccc(cc1)S(n1c(C)c(c(C)n1)S(N1CCCCCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8577 |
| logD: | 2.8577 |
| logSw: | -3.2729 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.703 |
| InChI Key: | IJXSJDKUJWLGRF-UHFFFAOYSA-N |