ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)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-{[(5-chloro-1-benzothiophen-3-yl)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-{[(5-chloro-1-benzothiophen-3-yl)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: | K285-0361 |
| Compound Name: | ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)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: | 559.17 |
| Molecular Formula: | C27 H27 Cl N2 O3 S3 |
| Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCc1csc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6415 |
| logD: | 7.6415 |
| logSw: | -6.6201 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.344 |
| InChI Key: | SHZKWOAMAZVWKH-UHFFFAOYSA-N |