CC1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CC4(CCNCC4)c4c(CNC(=O)OC(C)(C)C)cccc43)c21
SMILES: CC1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CC4(CCNCC4)c4c(CNC(=O)OC(C)(C)C)cccc43)c21

Molecular Processing

Molecular formula
C33H38N6O6
Molecular weight
614.7
Exact mass
614.2853
XLogP
5.59
TPSA
148.82
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
45
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
166.62

Supplementary Information

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