3-amino-4-(4-bromophenyl)-N~5~-(4-chlorophenyl)-6-methyl-N~2~-[(oxolan-2-yl)methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
Chemical Structure Depiction of
3-amino-4-(4-bromophenyl)-N~5~-(4-chlorophenyl)-6-methyl-N~2~-[(oxolan-2-yl)methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
3-amino-4-(4-bromophenyl)-N~5~-(4-chlorophenyl)-6-methyl-N~2~-[(oxolan-2-yl)methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
Compound characteristics
| Compound ID: | C200-0503 |
| Compound Name: | 3-amino-4-(4-bromophenyl)-N~5~-(4-chlorophenyl)-6-methyl-N~2~-[(oxolan-2-yl)methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide |
| Molecular Weight: | 599.93 |
| Molecular Formula: | C27 H24 Br Cl N4 O3 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)[Cl])=O)c(c2ccc(cc2)[Br])c2c(c(C(NCC3CCCO3)=O)sc2n1)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8372 |
| logD: | 5.8339 |
| logSw: | -6.2679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.809 |
| InChI Key: | JODJHWPPBPVBLQ-LJQANCHMSA-N |