SMILES:
Cc1cc(C(=O)NC(C)c2nc3cc(Cl)ccc3[nH]2)ccc1N1CCSCC1=OMolecular Processing
Molecular formula
C21H21ClN4O2S
Molecular weight
428.95
Exact mass
428.1074
XLogP
4.1
TPSA
78.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
117.84
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→