[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | C683-0790 |
| Compound Name: | [(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C20 H16 N2 O3 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(O)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.1078 |
| logD: | 1.6427 |
| logSw: | -5.0235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.47 |
| InChI Key: | BTYZXLSNCSMORL-UHFFFAOYSA-N |