CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)C2OC(C)(C)OC12
SMILES: CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)C2OC(C)(C)OC12

Molecular Processing

Molecular formula
C43H51N11O6
Molecular weight
817.95
Exact mass
817.4024
XLogP
3.72
TPSA
198.78
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
60
Rings
8
Aromatic rings
5
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
223.3

Supplementary Information

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