N-(2H-1,3-benzodioxol-5-yl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0330 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 510.95 |
| Molecular Formula: | C24 H19 Cl N4 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc3c(c1)OCO3)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4259 |
| logD: | 4.409 |
| logSw: | -4.7649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.597 |
| InChI Key: | KCVFTLRFJOJUGC-UHFFFAOYSA-N |