7-bromo-9-methoxy-4-(methylsulfanyl)-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
7-bromo-9-methoxy-4-(methylsulfanyl)-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
7-bromo-9-methoxy-4-(methylsulfanyl)-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0221 |
| Compound Name: | 7-bromo-9-methoxy-4-(methylsulfanyl)-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 415.31 |
| Molecular Formula: | C19 H15 Br N2 O2 S |
| Smiles: | COc1cc(cc2Cc3c(nc(c4ccccc4)nc3SC)Oc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.3643 |
| logD: | 6.3568 |
| logSw: | -5.7759 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.717 |
| InChI Key: | TYSBKMYFNBFNNC-UHFFFAOYSA-N |