N-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide
N-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | E544-0490 |
| Compound Name: | N-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide |
| Molecular Weight: | 534.58 |
| Molecular Formula: | C28 H24 F2 N4 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Sc1c2Cc3c(CO)cnc(C)c3Oc2nc(c2ccccc2F)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0661 |
| logD: | 5.0632 |
| logSw: | -4.5104 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.007 |
| InChI Key: | KTGFMKFPVVGLMV-QHCPKHFHSA-N |