N-[(3-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K292-1499 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C18 H19 N3 O3 S2 |
| Smiles: | COc1cccc(CNC(CCCN2C(c3c(ccs3)NC2=S)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.1276 |
| logD: | 2.127 |
| logSw: | -2.8985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.33 |
| InChI Key: | RITUBPXJKVDZRG-UHFFFAOYSA-N |