methyl 4-(7-bromo-9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(7-bromo-9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
methyl 4-(7-bromo-9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
| Compound ID: | C766-0564 |
| Compound Name: | methyl 4-(7-bromo-9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C20 H15 Br N2 O4 S |
| Smiles: | COC(c1ccc(cc1)C1NC(C2Cc3cc(cc(c3OC=2N=1)OC)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7451 |
| logD: | 4.7451 |
| logSw: | -4.6653 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.124 |
| InChI Key: | PANMNDSPKHXZFZ-UHFFFAOYSA-N |