1-[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C200-0473 |
| Compound Name: | 1-[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 543.82 |
| Molecular Formula: | C23 H16 Br Cl N4 O3 S |
| Smiles: | Cc1c2C(N(C(N(CC3=CC(N4C=C(C=CC4=N3)[Br])=O)c2sc1C)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7962 |
| logD: | 3.7962 |
| logSw: | -4.75 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.612 |
| InChI Key: | ZMKQJKVJIFDYBV-UHFFFAOYSA-N |