Name: 2-[N-(4-amidinophenyl)-N-methyl-aminomethyl]-benzothiazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)-amide-hydrochloride
SMILES:
CCOC(=O)CCN(C(=O)c1ccc2sc(CN(C)c3ccc(C(=N)N)cc3)nc2c1)c1ccccc1.ClMolecular Processing
Molecular formula
C28H30ClN5O3S
Molecular weight
552.1
Exact mass
551.1758
XLogP
5.24
TPSA
112.61
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.214
Molar refractivity
155.8
Supplementary Information
Details werden geladen…
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