SMILES:
CN(C)CCCOCc1nc2c([nH]1)-c1ccccc1Sc1ccc(Cl)cc1-2Molecular Processing
Molecular formula
C21H22ClN3OS
Molecular weight
399.95
Exact mass
399.1172
XLogP
5.33
TPSA
41.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
111.42
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→