2-{[2-(4-fluorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
2-{[2-(4-fluorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | C683-0734 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide |
| Molecular Weight: | 471.55 |
| Molecular Formula: | C27 H22 F N3 O2 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccc(cc4)F)nc3SCC(N(C)c3ccccc3)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 6.5942 |
| logD: | 6.5911 |
| logSw: | -5.8294 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.928 |
| InChI Key: | KTPGBFRBGUXHTN-UHFFFAOYSA-N |