Nom: {(1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclohexyl}amino-6-methylquinazolin-2-carboxylate
SMILES:
Cc1ccc2nc(C(=O)[O-])nc(N[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)c2c1Molecular Processing
Molecular formula
C21H27N4O4-
Molecular weight
399.47
Exact mass
399.2038
XLogP
2.55
TPSA
116.27
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
-1
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
107.64
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→