2-(4-chlorophenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(4-chlorophenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(4-chlorophenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0004 |
| Compound Name: | 2-(4-chlorophenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 326.8 |
| Molecular Formula: | C17 H11 Cl N2 O S |
| Smiles: | C1C2=C(N=C(c3ccc(cc3)[Cl])NC2=S)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.6159 |
| logD: | 3.2802 |
| logSw: | -5.1324 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6349 |
| InChI Key: | GAFPOXQJFQFFEQ-UHFFFAOYSA-N |