이름: [3-(4-{3-(5-Chloro-2-difluoromethoxyphenyl)-4-[(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl}piperidin-1-yl)propyl]carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)NCCCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1Molecular Processing
Molecular formula
C30H35ClF2N8O4
Molecular weight
645.11
Exact mass
644.2438
XLogP
5.65
TPSA
127.91
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
45
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
163.81
Supplementary Information
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