methyl 4-(9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
methyl 4-(9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
| Compound ID: | C766-0562 |
| Compound Name: | methyl 4-(9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C20 H16 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)C1NC(C2Cc3cccc(c3OC=2N=1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9448 |
| logD: | 3.9448 |
| logSw: | -4.2087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.124 |
| InChI Key: | LZCVXNPUOYMYMQ-UHFFFAOYSA-N |