3-benzyl-7-{[4-(dimethylamino)phenyl]acetyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-7-{[4-(dimethylamino)phenyl]acetyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-benzyl-7-{[4-(dimethylamino)phenyl]acetyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | V001-7144 |
| Compound Name: | 3-benzyl-7-{[4-(dimethylamino)phenyl]acetyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | CN(C)c1ccc(CC(N2CCc3c4C(N(Cc5ccccc5)C(Nc4sc3C2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0509 |
| logD: | 3.9363 |
| logSw: | -4.3323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.97 |
| InChI Key: | GHLKEEPZSQFJLR-UHFFFAOYSA-N |