methyl [(7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
methyl [(7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C683-0183 |
| Compound Name: | methyl [(7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 443.32 |
| Molecular Formula: | C20 H15 Br N2 O3 S |
| Smiles: | COC(CSc1c2Cc3cc(ccc3Oc2nc(c2ccccc2)n1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.832 |
| logD: | 5.8246 |
| logSw: | -5.5829 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.981 |
| InChI Key: | AKAIGDGESUNRNE-UHFFFAOYSA-N |