ethyl 3-[(3-chlorophenyl)methyl]-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(3-chlorophenyl)methyl]-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(3-chlorophenyl)methyl]-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0171 |
| Compound Name: | ethyl 3-[(3-chlorophenyl)methyl]-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 480.99 |
| Molecular Formula: | C21 H21 Cl N2 O5 S2 |
| Smiles: | CCOC(CSC1=Nc2c(C(N1Cc1cccc(c1)[Cl])=O)c(C)c(C(=O)OCC)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8304 |
| logD: | 4.8304 |
| logSw: | -4.9743 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.857 |
| InChI Key: | KJFFQAUFSRQKIU-UHFFFAOYSA-N |