N-[(2-chlorophenyl)methyl]-2-[(3-ethyl-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[(3-ethyl-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
N-[(2-chlorophenyl)methyl]-2-[(3-ethyl-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K286-3810 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[(3-ethyl-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 503.06 |
| Molecular Formula: | C22 H19 Cl N4 O2 S3 |
| Smiles: | CCN1C2=C(C(N(C(=N2)SCC(NCc2ccccc2[Cl])=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.423 |
| logD: | 4.423 |
| logSw: | -4.4181 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.034 |
| InChI Key: | KNUQWZUGBVIGEG-UHFFFAOYSA-N |