3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0329 |
| Compound Name: | 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 541.97 |
| Molecular Formula: | C24 H20 Cl N5 O6 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1cc(ccc1OC)[N+]([O-])=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3826 |
| logD: | 2.9993 |
| logSw: | -4.7988 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.796 |
| InChI Key: | GBACZBDAHMGWCT-UHFFFAOYSA-N |