名称: N-methyl-N-[2-[[(4-methylphenyl)phenyl-methyl]thio]ethyl]-1,4-butanediamine
SMILES:
Cc1ccc(C(SCCN(C)CCCCN)c2ccccc2)cc1Molecular Processing
Molecular formula
C21H30N2S
Molecular weight
342.55
Exact mass
342.213
XLogP
4.49
TPSA
29.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
107.71
Supplementary Information
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