N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K292-1869 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C22 H17 N3 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3c(ccs3)NC2=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.551 |
| logD: | 3.5508 |
| logSw: | -3.808 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.865 |
| InChI Key: | KEXUOVNSNUAMEB-UHFFFAOYSA-N |