N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1317 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 488.52 |
| Molecular Formula: | C25 H20 N4 O5 S |
| Smiles: | C(CN1C(c2c(ccs2)N(Cc2ccccc2C#N)C1=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3887 |
| logD: | 3.3887 |
| logSw: | -3.8364 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.907 |
| InChI Key: | KUXOUCZIBRZPKP-UHFFFAOYSA-N |