SMILES:
NC(=O)c1ccc2c(c1)C1CCCN(C(=O)c3ccc4[nH]cnc4c3)C1C2Molecular Processing
Molecular formula
C21H20N4O2
Molecular weight
360.42
Exact mass
360.1586
XLogP
2.61
TPSA
92.08
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
101.56
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→