3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0298 |
| Compound Name: | 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 538.05 |
| Molecular Formula: | C25 H20 Cl N5 O3 S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1nc3c(C)cccc3s1)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8065 |
| logD: | 5.7592 |
| logSw: | -6.2219 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.014 |
| InChI Key: | ZGEGLKJYGSAEMZ-UHFFFAOYSA-N |