CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)c3ccccc3)nc2N1C1CCCC1
SMILES: CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)c3ccccc3)nc2N1C1CCCC1

Molecular Processing

Molecular formula
C27H30N6O2
Molecular weight
470.58
Exact mass
470.243
XLogP
3.97
TPSA
91.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
135.1

Supplementary Information

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