2-bromo-N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
2-bromo-N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzamide
2-bromo-N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | F880-0613 |
| Compound Name: | 2-bromo-N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C23 H18 Br N3 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(CSc1ccccc1NC(c1ccccc1[Br])=O)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.8725 |
| logD: | 3.8714 |
| logSw: | -4.1045 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.368 |
| InChI Key: | IIFKOEUQLASMDS-UHFFFAOYSA-N |