ethyl 2-{[(3-bromophenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-bromophenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(3-bromophenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0367 |
| Compound Name: | ethyl 2-{[(3-bromophenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 547.53 |
| Molecular Formula: | C25 H27 Br N2 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.632 |
| logD: | 6.632 |
| logSw: | -5.6563 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.597 |
| InChI Key: | KUEXSERRZXVDFN-UHFFFAOYSA-N |