Name: (R)-[4-amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl][3-nitro-4-[[1-(hydroxymethyl)-3-methylbutyl]amino]phenyl]methanone
SMILES:
CC(C)C[C@H](CO)Nc1ccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C27H35N7O4S
Molecular weight
553.69
Exact mass
553.2471
XLogP
4.18
TPSA
149.89
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
156.44
Supplementary Information
Details werden geladen…
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