4-(9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid
Chemical Structure Depiction of
4-(9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid
4-(9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid
Compound characteristics
| Compound ID: | C766-0125 |
| Compound Name: | 4-(9-methoxy-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid |
| Molecular Weight: | 366.39 |
| Molecular Formula: | C19 H14 N2 O4 S |
| Smiles: | COc1cccc2CC3=C(N=C(c4ccc(cc4)C(O)=O)NC3=S)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7023 |
| logD: | 3.7023 |
| logSw: | -4.1389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.358 |
| InChI Key: | XWZGXZAHYHFULN-UHFFFAOYSA-N |