2-(5-bromo-3-ethoxy-2-hydroxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Chemical Structure Depiction of
2-(5-bromo-3-ethoxy-2-hydroxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
2-(5-bromo-3-ethoxy-2-hydroxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Compound characteristics
Compound ID: | 5510-0926 |
Compound Name: | 2-(5-bromo-3-ethoxy-2-hydroxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol |
Molecular Weight: | 438.34 |
Molecular Formula: | C18 H20 Br N3 O3 S |
Smiles: | CCOc1cc(cc(C2Nc3c(C(=N2)O)c2CCN(C)Cc2s3)c1O)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4157 |
logD: | 3.0388 |
logSw: | -3.8813 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 61.708 |
InChI Key: | ROLNREIMXREQHU-MRXNPFEDSA-N |