3-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
3-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G680-0377 |
| Compound Name: | 3-[3,5-dimethyl-4-(morpholine-4-sulfonyl)-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C19 H19 N3 O6 S |
| Smiles: | Cc1c(c(C)n(C(C2=Cc3ccccc3OC2=O)=O)n1)S(N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3963 |
| logD: | 0.3963 |
| logSw: | -2.0564 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.393 |
| InChI Key: | QJZKIOBKLQRNRD-UHFFFAOYSA-N |