N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K840-0350 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C18 H17 N3 O4 S |
| Smiles: | CCCN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.7119 |
| logD: | 2.6949 |
| logSw: | -3.1813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.698 |
| InChI Key: | KPGNXRNDUBXXGN-UHFFFAOYSA-N |