N-(2-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)furan-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)furan-2-carboxamide
N-(2-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | F880-0523 |
| Compound Name: | N-(2-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)furan-2-carboxamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | CC1C=CN2C(C=1)=NC(CSc1ccccc1NC(c1ccco1)=O)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 2.7839 |
| logD: | 2.7838 |
| logSw: | -3.2579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.925 |
| InChI Key: | YIRBIISFKIMCDO-UHFFFAOYSA-N |