3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0223 |
| Compound Name: | 3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(C(N(CC3=CC(N4C=CC=CC4=N3)=O)c2s1)=O)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6028 |
| logD: | 3.6028 |
| logSw: | -3.9059 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.026 |
| InChI Key: | NQQBCTHBMXZPEV-UHFFFAOYSA-N |