O=C(CCc1ccc2c(c1)N(Cc1ccc(C(=O)N3CC=CC3)cc1)C(=O)CN(C(=O)c1ccc(Cl)cc1)C2)N1CCNCC1
SMILES: O=C(CCc1ccc2c(c1)N(Cc1ccc(C(=O)N3CC=CC3)cc1)C(=O)CN(C(=O)c1ccc(Cl)cc1)C2)N1CCNCC1

Molecular Processing

Molecular formula
C35H36ClN5O4
Molecular weight
626.16
Exact mass
625.2456
XLogP
3.91
TPSA
93.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
45
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.314
Molar refractivity
173.08

Supplementary Information

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