COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O)c2c1C
Name: methyl 4-(4-fluoro-2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILES: COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O)c2c1C

Molecular Processing

Molecular formula
C15H12FN3O3S
Molecular weight
333.34
Exact mass
333.0583
XLogP
3.37
TPSA
84.34
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
84.84

Supplementary Information

InChIKey: OVWSWGNMOPUTFS-UHFFFAOYSA-N
Synonyme
SCHEMBL2368262OVWSWGNMOPUTFS-UHFFFAOYSA-NMethyl 4-(4-fluoro-2-hydroxyphenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylateMethyl 4-(4-fluoro-2-hydroxyphenylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate4-(4-Fluoro-2-hydroxy-phenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester
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