O=C(NC1CCCCC1)N(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCOCC1
SMILES: O=C(NC1CCCCC1)N(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCOCC1

Molecular Processing

Molecular formula
C25H29ClN4O2
Molecular weight
452.99
Exact mass
452.1979
XLogP
5.71
TPSA
59.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
127.8

Supplementary Information

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