2-(5-chloro-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(5-chloro-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(5-chloro-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0206 |
| Compound Name: | 2-(5-chloro-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 356.83 |
| Molecular Formula: | C18 H13 Cl N2 O2 S |
| Smiles: | Cc1ccc2c(CC3=C(N=C(c4cc(ccc4O)[Cl])NC3=S)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0676 |
| logD: | 3.0447 |
| logSw: | -4.8141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.183 |
| InChI Key: | NBOKFZVZJWAQCK-UHFFFAOYSA-N |