1-{2,5-dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-{2,5-dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
1-{2,5-dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 5067-0811 |
| Compound Name: | 1-{2,5-dimethyl-1-[(oxolan-2-yl)methyl]-1H-pyrrol-3-yl}-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 441.61 |
| Molecular Formula: | C23 H27 N3 O2 S2 |
| Smiles: | Cc1cc(C(CSc2c3c4CCCCc4sc3ncn2)=O)c(C)n1CC1CCCO1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3637 |
| logD: | 4.3637 |
| logSw: | -4.4879 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.756 |
| InChI Key: | PZWOLFPHLXSZNW-MRXNPFEDSA-N |