이름: 6-(4-isopropylpiperazin-1-yl)picolinaldehyde
SMILES:
COc1cc(OC)c2c(=O)[nH]c(-c3cccc(N4CCN(CCS(C)(=O)=O)CC4)n3)nc2c1Molecular Processing
Molecular formula
C22H27N5O5S
Molecular weight
473.56
Exact mass
473.1733
XLogP
1.17
TPSA
117.72
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
127.06
Supplementary Information
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