CNc1ccc(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1N
SMILES: CNc1ccc(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1N

Molecular Processing

Molecular formula
C17H21N3O3
Molecular weight
315.37
Exact mass
315.1583
XLogP
3.45
TPSA
86.47
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
89.88

Supplementary Information

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