N-(4-bromo-3-methylphenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
N-(4-bromo-3-methylphenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | C243-0217 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide |
| Molecular Weight: | 414.28 |
| Molecular Formula: | C18 H12 Br N3 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(c1cc2C(N3C=CC=CC3=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2528 |
| logD: | 4.2426 |
| logSw: | -4.356 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.478 |
| InChI Key: | JIOQSIOFGSLZOG-UHFFFAOYSA-N |