7-acetyl-3-(4-bromo-2-fluorophenyl)-1-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-acetyl-3-(4-bromo-2-fluorophenyl)-1-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-3-(4-bromo-2-fluorophenyl)-1-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | C728-0745 |
Compound Name: | 7-acetyl-3-(4-bromo-2-fluorophenyl)-1-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 494.38 |
Molecular Formula: | C21 H21 Br F N3 O3 S |
Smiles: | CC(C)CN1C(N(C(c2c3CCN(Cc3sc12)C(C)=O)=O)c1ccc(cc1F)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.1173 |
logD: | 4.1173 |
logSw: | -4.4742 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 48.127 |
InChI Key: | LBXWLIDWCAOUME-UHFFFAOYSA-N |