N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide
N-(2,5-dimethylphenyl)-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: | E544-0480 |
| Compound Name: | N-(2,5-dimethylphenyl)-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: | 544.65 |
| Molecular Formula: | C30 H29 F N4 O3 S |
| Smiles: | CCC(C(Nc1cc(C)ccc1C)=O)Sc1c2Cc3c(CO)cnc(C)c3Oc2nc(c2ccccc2F)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3768 |
| logD: | 5.3739 |
| logSw: | -5.1886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.309 |
| InChI Key: | IOROOWICGXRTTC-VWLOTQADSA-N |