Name: 3-(3-{2-[(E)-3,5-diamino-6-chloro-pyrazine-2-carbonylimino]-1,3,8-triaza-spiro[4.5]decane-8-carbonyl}-benzenesulfonylamino)-propionic acid dipropylcarbamoylmethyl ester
SMILES:
CCCN(CCC)C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN/C(=N\C(=O)c2nc(Cl)c(N)nc2N)N3)c1Molecular Processing
Molecular formula
C30H41ClN10O7S
Molecular weight
721.24
Exact mass
720.2569
XLogP
0.52
TPSA
244.4
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
13
Heavy atoms
49
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
181.01
Supplementary Information
Details werden geladen…
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