4-(benzylsulfanyl)-2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
4-(benzylsulfanyl)-2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0455 |
| Compound Name: | 4-(benzylsulfanyl)-2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C24 H17 Cl N2 O S |
| Smiles: | C1c2ccccc2Oc2c1c(nc(c1ccc(cc1)[Cl])n2)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5906 |
| logD: | 7.5875 |
| logSw: | -6.7813 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1307 |
| InChI Key: | OTONWFUFEBKDFD-UHFFFAOYSA-N |