CC1Cc2ccc(-c3ccnc(C(=O)N(C)CCN(C)C)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1
SMILES: CC1Cc2ccc(-c3ccnc(C(=O)N(C)CCN(C)C)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

Molecular Processing

Molecular formula
C30H41N9O
Molecular weight
543.72
Exact mass
543.3434
XLogP
2.46
TPSA
97.96
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
160.69

Supplementary Information

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