methyl [(7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
methyl [(7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C683-0225 |
| Compound Name: | methyl [(7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 473.34 |
| Molecular Formula: | C21 H17 Br N2 O4 S |
| Smiles: | COC(CSc1c2Cc3cc(cc(c3Oc2nc(c2ccccc2)n1)OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8102 |
| logD: | 5.8028 |
| logSw: | -5.5545 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.296 |
| InChI Key: | KHSHUCGZWMDRHM-UHFFFAOYSA-N |