COC1=CC=C(C=C1)SC2=NC(=NC=C2)NC3=CC=C(C=C3)N
Название: 4-N-[4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]benzene-1,4-diamine
SMILES: COC1=CC=C(C=C1)SC2=NC(=NC=C2)NC3=CC=C(C=C3)N

Molecular Processing

Molecular formula
C17H16N4OS
Molecular weight
324.41
Exact mass
324.1045
XLogP
3.96
TPSA
73.06
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
93.29

Supplementary Information

InChIKey: CUXWYNTXMWFFJS-UHFFFAOYSA-N
Синонимы
SCHEMBL3701102CUXWYNTXMWFFJS-UHFFFAOYSA-NN1-(4-(4-methoxyphenylthio)pyrimidin-2-yl)benzene-1,4-diamine
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