3-benzyl-N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-benzyl-N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-benzyl-N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0296 |
| Compound Name: | 3-benzyl-N,N-diethyl-5-methyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C26 H26 N4 O5 S |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(Cc3ccccc3)C(N(Cc3cccc(c3)[N+]([O-])=O)c2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7638 |
| logD: | 4.7638 |
| logSw: | -4.7554 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.032 |
| InChI Key: | BHTQUDMCHXLJFL-UHFFFAOYSA-N |