5-[3-(1-cyclopentyl-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-cyclopentyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
5-[3-(1-cyclopentyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Compound characteristics
Compound ID: | Y505-7223 |
Compound Name: | 5-[3-(1-cyclopentyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione |
Molecular Weight: | 347.39 |
Molecular Formula: | C16 H17 N3 O4 S |
Smiles: | Cc1c(/C=C/C(C2=C(NC(=O)SC2=O)O)=O)cn(C2CCCC2)n1 |
Stereo: | ACHIRAL |
logP: | 1.3879 |
logD: | -4.7591 |
logSw: | -2.1105 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.149 |
InChI Key: | YNNASEGQNSBZNK-UHFFFAOYSA-N |