9-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
9-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
9-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0153 |
| Compound Name: | 9-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CCOc1cccc2CC3=C(N=C(c4cc(c(c(c4)OC)OC)OC)NC3=S)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.9519 |
| logD: | 1.9308 |
| logSw: | -4.1451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.507 |
| InChI Key: | UQSRJHPPMHFTFY-UHFFFAOYSA-N |