CC1(C)CC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CCS1(=O)=O
SMILES: CC1(C)CC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CCS1(=O)=O

Molecular Processing

Molecular formula
C22H24N2O3S
Molecular weight
396.51
Exact mass
396.1508
XLogP
4
TPSA
93.02
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
112.09

Supplementary Information

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