3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0274 |
| Compound Name: | 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 524.98 |
| Molecular Formula: | C25 H21 Cl N4 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc3c(c1)OCCO3)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5654 |
| logD: | 3.5484 |
| logSw: | -4.3106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.305 |
| InChI Key: | OIIVPYHAAPVZSJ-UHFFFAOYSA-N |