N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2,4-dioxo-1-[(pyridin-3-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2,4-dioxo-1-[(pyridin-3-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2,4-dioxo-1-[(pyridin-3-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1303 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2,4-dioxo-1-[(pyridin-3-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | C(CN1C(c2c(ccs2)N(Cc2cccnc2)C1=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4103 |
| logD: | 2.4092 |
| logSw: | -2.5456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.368 |
| InChI Key: | HSALGECFAUKJLS-UHFFFAOYSA-N |