COC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1
Name: title compound
SMILES: COC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1

Molecular Processing

Molecular formula
C31H33ClN4O4
Molecular weight
561.08
Exact mass
560.219
XLogP
3.22
TPSA
90.98
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
154.43

Supplementary Information

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Involved in 2 reactions→

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