3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0225 |
| Compound Name: | 3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 598.51 |
| Molecular Formula: | C28 H25 Cl2 N5 O4 S |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(C(N(CC3=CC(N4C(C)=CC=CC4=N3)=O)c2s1)=O)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.116 |
| logD: | 4.116 |
| logSw: | -4.6324 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.69 |
| InChI Key: | FWMAMFLJNWCBCV-UHFFFAOYSA-N |