N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0254 |
| Compound Name: | N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C27 H28 N4 O5 S |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(CCc3ccccc3)C(N(Cc3cccc(c3)[N+]([O-])=O)c2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9179 |
| logD: | 4.9179 |
| logSw: | -4.8143 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.01 |
| InChI Key: | BEWHKXXEQCGWDO-UHFFFAOYSA-N |