methyl 4-(9-ethoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(9-ethoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
methyl 4-(9-ethoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
| Compound ID: | C766-0563 |
| Compound Name: | methyl 4-(9-ethoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C21 H18 N2 O4 S |
| Smiles: | CCOc1cccc2CC3=C(N=C(c4ccc(cc4)C(=O)OC)NC3=S)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.4623 |
| logD: | 4.4623 |
| logSw: | -4.3615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.703 |
| InChI Key: | DTJIVXFAXGQZFL-UHFFFAOYSA-N |