1-[2-(3-chloroanilino)-2-oxoethyl]-N,N,5-trimethyl-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-[2-(3-chloroanilino)-2-oxoethyl]-N,N,5-trimethyl-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[2-(3-chloroanilino)-2-oxoethyl]-N,N,5-trimethyl-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0387 |
| Compound Name: | 1-[2-(3-chloroanilino)-2-oxoethyl]-N,N,5-trimethyl-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 541.97 |
| Molecular Formula: | C24 H20 Cl N5 O6 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3cccc(c3)[Cl])=O)c2sc1C(N(C)C)=O)=O)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3524 |
| logD: | 3.3523 |
| logSw: | -4.016 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.037 |
| InChI Key: | WPJWPFAVHYBIME-UHFFFAOYSA-N |