ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0479 |
| Compound Name: | ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 576.15 |
| Molecular Formula: | C26 H26 Cl N3 O4 S3 |
| Smiles: | CCOC(c1c(C)c2C(N(CCCN3CCCC3=O)C(=Nc2s1)SCc1csc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0919 |
| logD: | 5.0919 |
| logSw: | -5.5238 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.664 |
| InChI Key: | XOPPWZFKHWSLPH-UHFFFAOYSA-N |