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 |