ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-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-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5041 |
| Compound Name: | ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 547.13 |
| Molecular Formula: | C24 H19 Cl N2 O3 S4 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3cccs3)C(=Nc2s1)SCc1csc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9428 |
| logD: | 6.9428 |
| logSw: | -6.4465 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.192 |
| InChI Key: | KOQQQKXAHQIGQJ-UHFFFAOYSA-N |