2-(4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0003 |
| Compound Name: | 2-(4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | COc1ccc(cc1)C1NC(C2Cc3ccccc3OC=2N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0036 |
| logD: | 4.0036 |
| logSw: | -4.337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.179 |
| InChI Key: | HBCPITKSYMHKJF-UHFFFAOYSA-N |