CC1=C(SC2=NC=NC(=C12)NC3=C(N=C(C=C3)C(F)(F)F)OC4CCOCC4)C(=O)OC
Name: methyl 5-methyl-4-[[2-(oxan-4-yloxy)-6-(trifluoromethyl)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILES: CC1=C(SC2=NC=NC(=C12)NC3=C(N=C(C=C3)C(F)(F)F)OC4CCOCC4)C(=O)OC

Molecular Processing

Molecular formula
C20H19F3N4O4S
Molecular weight
468.46
Exact mass
468.1079
XLogP
4.5
TPSA
95.46
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
110.48

Supplementary Information

InChIKey: IFCMCQYLDLHIJP-UHFFFAOYSA-N
Synonyme
methyl 4-(2-(tetrahydro-2H-pyran-4-yloxy)-6-(trifluoromethyl)-pyridin-3-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylateSCHEMBL1936772
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