2-ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-bromobenzoate
Chemical Structure Depiction of
2-ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-bromobenzoate
2-ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-bromobenzoate
Compound characteristics
Compound ID: | 3161-0487 |
Compound Name: | 2-ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-bromobenzoate |
Molecular Weight: | 542.45 |
Molecular Formula: | C25 H24 Br N3 O4 S |
Smiles: | CCOc1cc(ccc1OC(c1ccc(cc1)[Br])=O)C1NC(c2c3CCN(C)Cc3sc2N1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9231 |
logD: | 2.986 |
logSw: | -4.2708 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.285 |
InChI Key: | AGLKSUJZIQCNIX-JOCHJYFZSA-N |