CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)NCCN3CCCC3)NC4=CC=C(C=C4)C#N)C)C#N.Cl
الاسم: 4-[5-bromo-2-(4-cyanoanilino)-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile;hydrochloride
SMILES: CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)NCCN3CCCC3)NC4=CC=C(C=C4)C#N)C)C#N.Cl

Molecular Processing

Molecular formula
C26H27BrClN7O
Molecular weight
568.91
Exact mass
567.1149
XLogP
6.06
TPSA
109.89
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
146.29

Supplementary Information

InChIKey: KHSNTZDRBUGFGV-UHFFFAOYSA-N
مرادفات
SCHEMBL1181966KHSNTZDRBUGFGV-UHFFFAOYSA-N4-[[5-bromo 4(4-cyano-2,6-dimethylphenoxy)-6-[(1-pyrrolidinyl)ethylamino]-2-pyrimidinyl]amino]benzonitrile hydrochloride4-[[5-bromo 4-(4-cyano-2,6-dimethylphenoxy)-6-[(1-pyrrolidinyl)ethylamino]-2-pyrimidinyl]amino]benzonitrile hydrochloride4-[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-6-[(1-pyrrolidinyl)ethylamino]-2-pyrimidinyl]amino]benzonitrile hydrochloride
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