3-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-1-[(3-nitrophenyl)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-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0231 |
| Compound Name: | 3-(3,4-dichlorophenyl)-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: | 561.44 |
| Molecular Formula: | C25 H22 Cl2 N4 O5 S |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(C(N(Cc3cccc(c3)[N+]([O-])=O)c2s1)=O)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4026 |
| logD: | 5.4026 |
| logSw: | -6.2132 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.421 |
| InChI Key: | MXYPMGHTIHTKBG-UHFFFAOYSA-N |