5-(N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethanimidoyl)-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Chemical Structure Depiction of
5-(N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethanimidoyl)-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
5-(N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethanimidoyl)-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione
Compound characteristics
| Compound ID: | Y505-7248 |
| Compound Name: | 5-(N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethanimidoyl)-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione |
| Molecular Weight: | 412.25 |
| Molecular Formula: | C15 H11 Cl2 N5 O3 S |
| Smiles: | C\C(C1=C(NC(=O)SC1=O)O)=N/c1ncn(Cc2ccc(c(c2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7464 |
| logD: | -2.3249 |
| logSw: | -3.2244 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.942 |
| InChI Key: | GBWYASJWRHAEDB-UHFFFAOYSA-N |