2-(3-hydroxy-4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(3-hydroxy-4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(3-hydroxy-4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0018 |
| Compound Name: | 2-(3-hydroxy-4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 338.38 |
| Molecular Formula: | C18 H14 N2 O3 S |
| Smiles: | COc1ccc(cc1O)C1NC(C2Cc3ccccc3OC=2N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4943 |
| logD: | 3.4943 |
| logSw: | -3.7164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.813 |
| InChI Key: | XULGFRWTZRRHII-UHFFFAOYSA-N |