Name: (5)-10-[3-(2-methoxy-ethyl)-piperazin-1-yl]-2-trifluoromethyl-4H-3-thia-1,4,9-triaza-benzo[f]azulene
SMILES:
COCC[C@H]1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)CCN1Molecular Processing
Molecular formula
C18H20F3N5OS
Molecular weight
411.45
Exact mass
411.1341
XLogP
3.61
TPSA
61.78
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
102.89
Supplementary Information
Details werden geladen…
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