ethyl 3-[(3-bromophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(3-bromophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(3-bromophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0138 |
| Compound Name: | ethyl 3-[(3-bromophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 478.38 |
| Molecular Formula: | C19 H16 Br N3 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccc(c3)[Br])C(=Nc2s1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2633 |
| logD: | 4.2633 |
| logSw: | -4.3869 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.19 |
| InChI Key: | QQJPWKACVBCRPX-UHFFFAOYSA-N |