SMILES:
OCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1Molecular Processing
Molecular formula
C27H27ClN8O3
Molecular weight
547.02
Exact mass
546.1895
XLogP
2.72
TPSA
147.03
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
39
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
144.2
Supplementary Information
جارٍ جلب التفاصيل…
مشارك في 1 تفاعل→