Name: 2-[N-(4-amidinophenyl)-aminomethyl]-benzothiazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)-amide-hydrochloride
SMILES:
CCCN(CCC(=O)OCC)C(=O)c1ccc2sc(CNc3ccc(C(=N)N)cc3)nc2c1.ClMolecular Processing
Molecular formula
C24H30ClN5O3S
Molecular weight
504.06
Exact mass
503.1758
XLogP
4.42
TPSA
121.4
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
139.1
Supplementary Information
Details werden geladen…
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