Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3c(C(C)C)nc4c(C)cc(C)nc43)cc2)cc1
名称: 2-{4-[(3-amino-5-bromo-4,6-dimethyl-2-pyridinyl)amino]phenyl}ethanol
SMILES: Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3c(C(C)C)nc4c(C)cc(C)nc43)cc2)cc1

Molecular Processing

Molecular formula
C27H31N5O3S
Molecular weight
505.64
Exact mass
505.2148
XLogP
4.7
TPSA
105.98
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
141.03

Supplementary Information

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