Nom: tert-butyl{(1R,2S)-2-[(2-{[(2-methoxyethyl)amino]carbonyl}-6-methylquinazolin-4-yl)amino]cyclohexyl}carbamate
SMILES:
COCCNC(=O)c1nc(N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c2cc(C)ccc2n1Molecular Processing
Molecular formula
C24H35N5O4
Molecular weight
457.58
Exact mass
457.2689
XLogP
3.56
TPSA
114.47
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
127.52
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→