2-bromo-6-methoxy-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-methylbenzoate
Chemical Structure Depiction of
2-bromo-6-methoxy-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-methylbenzoate
2-bromo-6-methoxy-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-methylbenzoate
Compound characteristics
Compound ID: | 3161-0509 |
Compound Name: | 2-bromo-6-methoxy-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-methylbenzoate |
Molecular Weight: | 542.45 |
Molecular Formula: | C25 H24 Br N3 O4 S |
Smiles: | Cc1ccc(cc1)C(=O)Oc1c(cc(cc1[Br])C1NC(c2c3CCN(C)Cc3sc2N1)=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9612 |
logD: | 3.0241 |
logSw: | -4.3004 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.791 |
InChI Key: | MLGRNVFVKOPRMP-JOCHJYFZSA-N |