1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0108 |
| Compound Name: | 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 555.05 |
| Molecular Formula: | C27 H27 Cl N4 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(C)c(C(N(C)C)=O)sc2N(CC(Nc2cc(ccc2C)[Cl])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3791 |
| logD: | 3.379 |
| logSw: | -4.0386 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.683 |
| InChI Key: | XAUGSVPCJFTUJS-UHFFFAOYSA-N |