N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K895-0111 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C26 H30 N4 O5 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C=Nc2c(C1=O)c(C)c(C(NCC1COc3ccccc3O1)=O)s2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7282 |
| logD: | 2.7282 |
| logSw: | -3.2071 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.593 |
| InChI Key: | ZQLHIQLIHGEMDA-UHFFFAOYSA-N |