2-{[7-acetyl-3-(3-acetylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[7-acetyl-3-(3-acetylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[7-acetyl-3-(3-acetylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C728-0405 |
| Compound Name: | 2-{[7-acetyl-3-(3-acetylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C27 H22 N4 O4 S |
| Smiles: | CC(c1cccc(c1)N1C(c2c3CCN(Cc3sc2N(Cc2ccccc2C#N)C1=O)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.761 |
| logD: | 2.761 |
| logSw: | -3.3942 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.04 |
| InChI Key: | JLZIKSHCGUMSBN-UHFFFAOYSA-N |