2-(3-ethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(3-ethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(3-ethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0009 |
| Compound Name: | 2-(3-ethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C19 H16 N2 O2 S |
| Smiles: | CCOc1cccc(c1)C1NC(C2Cc3ccccc3OC=2N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3933 |
| logD: | 3.4548 |
| logSw: | -4.3632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.758 |
| InChI Key: | INSMFJRRRWMHCB-UHFFFAOYSA-N |