2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 3698-0269 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 464.48 |
| Molecular Formula: | C20 H12 N6 O4 S2 |
| Smiles: | C(C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3828 |
| logD: | -0.1702 |
| logSw: | -3.8596 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.731 |
| InChI Key: | WUJQCMVWJITZSE-UHFFFAOYSA-N |