CCc1nn(Cc2cccc(OC3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
SMILES: CCc1nn(Cc2cccc(OC3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12

Molecular Processing

Molecular formula
C28H29N7O2
Molecular weight
495.59
Exact mass
495.2383
XLogP
4.07
TPSA
98.37
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
142.11

Supplementary Information

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