4-[1-(4-tert-butylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]morpholine
Chemical Structure Depiction of
4-[1-(4-tert-butylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]morpholine
4-[1-(4-tert-butylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]morpholine
Compound characteristics
| Compound ID: | G680-0629 |
| Compound Name: | 4-[1-(4-tert-butylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]morpholine |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C19 H27 N3 O5 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1ccc(cc1)C(C)(C)C)(=O)=O)S(N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5002 |
| logD: | 2.5002 |
| logSw: | -2.5958 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.478 |
| InChI Key: | YBGPTDGBSFPQNG-UHFFFAOYSA-N |