이름: 6-{5-Chloro-4-[2-(propane-2-sulfonyl)-phenylamino]-pyrimidin-2-ylamino}-5-isopropoxy-2-piperidin-4-yl-2,3-dihydro-isoindol-1-one
SMILES:
CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCNCC1)C2Molecular Processing
Molecular formula
C29H35ClN6O4S
Molecular weight
599.16
Exact mass
598.2129
XLogP
5.29
TPSA
125.55
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
160.34
Supplementary Information
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