Nom: 2-[5-chloro-2-(1-methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide
SMILES:
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)N(C)CCNC3)ncc1ClMolecular Processing
Molecular formula
C22H24ClN7O
Molecular weight
437.94
Exact mass
437.1731
XLogP
3.52
TPSA
94.21
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
124.86
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→