COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N(CCCN2CCOCC2)C2CCN(C(=O)OC(C)(C)C)CC2)n1
Name: tert-butyl 4-{[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl][3-(4-morpholinyl)propyl]amino}-1-piperidinecarboxylate
SMILES: COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N(CCCN2CCOCC2)C2CCN(C(=O)OC(C)(C)C)CC2)n1

Molecular Processing

Molecular formula
C33H47F2N9O5
Molecular weight
687.79
Exact mass
687.3668
XLogP
3.92
TPSA
123.44
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
49
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
179.05

Supplementary Information

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