Nombre: 4-({(3S)-4-[(6-iodo-3-pyridinyl)carbonyl]-3-methyl-1-piperazinyl}sulfonyl)-3-methylbenzonitrile
SMILES:
Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)c2ccc(I)nc2)[C@@H](C)C1Molecular Processing
Molecular formula
C19H19IN4O3S
Molecular weight
510.36
Exact mass
510.0223
XLogP
2.4
TPSA
94.37
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
112.11
Supplementary Information
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