CNC(=O)C1=C2C=C(C(=CC2=NN1C3=CC=C(C=C3)Cl)N(CCCC4CO4)S(=O)(=O)C)C5CC5
Название: 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-(oxiran-2-yl)propyl]amino]indazole-3-carboxamide
SMILES: CNC(=O)C1=C2C=C(C(=CC2=NN1C3=CC=C(C=C3)Cl)N(CCCC4CO4)S(=O)(=O)C)C5CC5

Molecular Processing

Molecular formula
C24H27ClN4O4S
Molecular weight
503.02
Exact mass
502.1442
XLogP
3.86
TPSA
96.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
132.61

Supplementary Information

InChIKey: ROSRTYAATHEOPY-UHFFFAOYSA-N
Синонимы
SCHEMBL15313200ROSRTYAATHEOPY-UHFFFAOYSA-N2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-{(methylsulfonyl)[3-(oxiran-2-yl)propyl]amino}-2H-indazole-3-carboxamide
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