4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0424 |
| Compound Name: | 4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 460.98 |
| Molecular Formula: | C26 H21 Cl N2 O2 S |
| Smiles: | CCOc1ccc(cc1)c1nc2c(Cc3cc(ccc3O2)[Cl])c(n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.9032 |
| logD: | 7.8958 |
| logSw: | -6.4791 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.254 |
| InChI Key: | JSHQJDOSUSRVHM-UHFFFAOYSA-N |