N-(2H-1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]-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-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K840-0424 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C22 H16 Cl N3 O4 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3[Cl])C=Nc2sc1C(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.091 |
| logD: | 4.074 |
| logSw: | -4.5811 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.448 |
| InChI Key: | XGBOORIILYKQLP-UHFFFAOYSA-N |