7-tert-butyl-9-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-tert-butyl-9-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-tert-butyl-9-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0388 |
| Compound Name: | 7-tert-butyl-9-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C22 H22 N2 O3 S |
| Smiles: | CC(C)(C)c1cc2CC3=C(N=C(c4ccc(cc4)OC)NC3=S)Oc2c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 5.234 |
| logD: | 5.234 |
| logSw: | -5.0112 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.411 |
| InChI Key: | IUQQGUFWGQGVPG-UHFFFAOYSA-N |