Name: title compound
SMILES:
CC1(C)Cc2c(c(C(=O)N3CCOCC3)cc3nc(Nc4c(Cl)cncc4Cl)[nH]c23)O1Molecular Processing
Molecular formula
C21H21Cl2N5O3
Molecular weight
462.34
Exact mass
461.1021
XLogP
4.19
TPSA
92.37
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
118.77
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→