5-[3-(1',5'-dimethyl-1-phenyl-1H,1'H-[3,4'-bipyrazol]-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Chemical Structure Depiction of
5-[3-(1',5'-dimethyl-1-phenyl-1H,1'H-[3,4'-bipyrazol]-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
5-[3-(1',5'-dimethyl-1-phenyl-1H,1'H-[3,4'-bipyrazol]-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Compound characteristics
| Compound ID: | Y505-7214 |
| Compound Name: | 5-[3-(1',5'-dimethyl-1-phenyl-1H,1'H-[3,4'-bipyrazol]-4-yl)prop-2-enoyl]-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | Cc1c(cnn1C)c1c(/C=C/C(C2=C(NC(=O)SC2=O)O)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7886 |
| logD: | -4.3584 |
| logSw: | -2.6155 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.358 |
| InChI Key: | OCWSJNADSNGUBR-UHFFFAOYSA-N |