SMILES:
C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CC1C(=O)NC(C(=O)NC1CCCC1)C(C)(C)C)C(=O)OCCMolecular Processing
Molecular formula
C42H52N4O7
Molecular weight
724.9
Exact mass
724.3836
XLogP
5.9
TPSA
144.95
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
53
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
201.96
Supplementary Information
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