이름: 2-[2-(2,2,2-trifluoroethyl)-guanidino]-4-(4-phthalimidobutyl)-5-methylthiazole hydrochloride
SMILES:
Cc1sc(NC(N)=NCC(F)(F)F)nc1CCCCN1C(=O)c2ccccc2C1=O.ClMolecular Processing
Molecular formula
C19H21ClF3N5O2S
Molecular weight
475.92
Exact mass
475.1057
XLogP
3.78
TPSA
100.68
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.368
Molar refractivity
115.01
Supplementary Information
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