1-[(2-cyanophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-[(2-cyanophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[(2-cyanophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0253 |
| Compound Name: | 1-[(2-cyanophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C28 H28 N4 O3 S |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(CCc3ccccc3)C(N(Cc3ccccc3C#N)c2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.721 |
| logD: | 4.721 |
| logSw: | -4.631 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.685 |
| InChI Key: | DGSXAKBCKXLCGB-UHFFFAOYSA-N |