3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0246 |
| Compound Name: | 3-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 567.49 |
| Molecular Formula: | C25 H28 Cl2 N4 O5 S |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(C(N(CC(NCC3CCCO3)=O)c2s1)=O)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9796 |
| logD: | 2.9796 |
| logSw: | -3.7601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.165 |
| InChI Key: | IJFUVGKKDXVTSD-MRXNPFEDSA-N |