Cc1ccncc1N1CCN(c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)C1=O
SMILES: Cc1ccncc1N1CCN(c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)C1=O

Molecular Processing

Molecular formula
C22H24N4O3
Molecular weight
392.46
Exact mass
392.1848
XLogP
4.57
TPSA
67.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
112.63

Supplementary Information

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