N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K936-0038 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxo-3-[2-oxo-2-(propylamino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CCCNC(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc3c(c1)OCCO3)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8199 |
| logD: | 0.8029 |
| logSw: | -2.4951 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.74 |
| InChI Key: | BPEKLEHCJLDBLJ-UHFFFAOYSA-N |