5-[3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Chemical Structure Depiction of
5-[3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
5-[3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Compound characteristics
| Compound ID: | Y505-2502 |
| Compound Name: | 5-[3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione |
| Molecular Weight: | 307.33 |
| Molecular Formula: | C13 H13 N3 O4 S |
| Smiles: | CCn1cc(/C=C/C(C2=C(NC(=O)SC2=O)O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.3664 |
| logD: | -5.7806 |
| logSw: | -2.0351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.094 |
| InChI Key: | UEMHGEMKOPZURP-UHFFFAOYSA-N |