CCC1=CC2=C(S1)N=C(N=C2Cl)C3=CC=NC=C3
Name: 4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine
SMILES: CCC1=CC2=C(S1)N=C(N=C2Cl)C3=CC=NC=C3

Molecular Processing

Molecular formula
C13H10ClN3S
Molecular weight
275.76
Exact mass
275.0284
XLogP
3.97
TPSA
38.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
75.03

Supplementary Information

InChIKey: VROKTDMUCLPWTE-UHFFFAOYSA-N
Synonyme
SCHEMBL5114971VROKTDMUCLPWTE-UHFFFAOYSA-NAKOS0129252004-chloro-2-(pyridin-4-yl)-6-ethyl-thieno-[2,3-d]-pyrimidine
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