ethyl 2-[(cyanomethyl)sulfanyl]-3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(cyanomethyl)sulfanyl]-3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(cyanomethyl)sulfanyl]-3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0169 |
| Compound Name: | ethyl 2-[(cyanomethyl)sulfanyl]-3-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 468.38 |
| Molecular Formula: | C19 H15 Cl2 N3 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(c(c3)[Cl])[Cl])C(=Nc2s1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8694 |
| logD: | 4.8694 |
| logSw: | -5.1216 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.19 |
| InChI Key: | RQVVUEAZDNEIPE-UHFFFAOYSA-N |