5-[3-(1-ethyl-3,5-dimethyl-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-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
5-[3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Compound characteristics
| Compound ID: | Y505-2852 |
| Compound Name: | 5-[3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione |
| Molecular Weight: | 321.35 |
| Molecular Formula: | C14 H15 N3 O4 S |
| Smiles: | CCn1c(C)c(/C=C/C(C2=C(NC(=O)SC2=O)O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.4517 |
| logD: | -5.6953 |
| logSw: | -1.9843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.517 |
| InChI Key: | PWXRVVSIRCXCPC-UHFFFAOYSA-N |