7-acetyl-1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-acetyl-1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C728-0310 |
| Compound Name: | 7-acetyl-1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 533.99 |
| Molecular Formula: | C26 H20 Cl N5 O4 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(CC4=CC(N5C=C(C=CC5=N4)[Cl])=O)c3sc2C1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8838 |
| logD: | 1.8838 |
| logSw: | -3.0255 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.662 |
| InChI Key: | INDOXBRXALXBKV-UHFFFAOYSA-N |