2-(3-chlorophenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(3-chlorophenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(3-chlorophenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0180 |
| Compound Name: | 2-(3-chlorophenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 340.83 |
| Molecular Formula: | C18 H13 Cl N2 O S |
| Smiles: | Cc1ccc2c(CC3=C(N=C(c4cccc(c4)[Cl])NC3=S)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8912 |
| logD: | 3.5945 |
| logSw: | -5.0128 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6349 |
| InChI Key: | KVKJLRYIAKKTNV-UHFFFAOYSA-N |