1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0088 |
| Compound Name: | 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(3,4-dimethylphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 539.05 |
| Molecular Formula: | C27 H27 Cl N4 O4 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C(N(C(c2c(C)c(C(N(C)C)=O)sc12)=O)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4094 |
| logD: | 4.4092 |
| logSw: | -4.6709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.559 |
| InChI Key: | REGMCOIIHYBWQV-UHFFFAOYSA-N |