3-(2-methoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(2-methoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
3-(2-methoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K889-0994 |
| Compound Name: | 3-(2-methoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | Cc1c2C(N(CCOC)C=Nc2sc1C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0799 |
| logD: | 2.0799 |
| logSw: | -2.5061 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.124 |
| InChI Key: | QYGVDLDXJFMJOJ-UHFFFAOYSA-N |