ethyl 3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0056 |
| Compound Name: | ethyl 3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 485.02 |
| Molecular Formula: | C24 H21 Cl N2 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccccc3)C(=Nc2s1)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2213 |
| logD: | 6.2213 |
| logSw: | -6.0909 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.427 |
| InChI Key: | NCVCOMHGKWVHJG-UHFFFAOYSA-N |