2-{4-[(difluoromethyl)sulfanyl]anilino}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Chemical Structure Depiction of
2-{4-[(difluoromethyl)sulfanyl]anilino}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
2-{4-[(difluoromethyl)sulfanyl]anilino}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Compound characteristics
| Compound ID: | 8009-1130 |
| Compound Name: | 2-{4-[(difluoromethyl)sulfanyl]anilino}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde |
| Molecular Weight: | 361.37 |
| Molecular Formula: | C17 H13 F2 N3 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(C=O)C2=O)Nc1ccc(cc1)SC(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.7542 |
| logD: | 2.4636 |
| logSw: | -3.1999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.839 |
| InChI Key: | ZJQYDOOUQIRIOO-UHFFFAOYSA-N |