CCCCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
SMILES: CCCCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

Molecular Processing

Molecular formula
C28H33N5O3S
Molecular weight
519.67
Exact mass
519.2304
XLogP
4.92
TPSA
105.98
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
145.55

Supplementary Information

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