O=C(NC(Cc1ccccc1)C1(c2ccccc2)OCCO1)c1cc2cc(Cl)ncc2[nH]1
SMILES: O=C(NC(Cc1ccccc1)C1(c2ccccc2)OCCO1)c1cc2cc(Cl)ncc2[nH]1

Molecular Processing

Molecular formula
C25H22ClN3O3
Molecular weight
447.92
Exact mass
447.135
XLogP
4.46
TPSA
76.24
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
122.53

Supplementary Information

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