Name: N—((S)-6-amino-4,5,6,7-tetrahydro-benzothiazol-2-yl)-3-[4-(4-cyano-phenyl)-pyrazol-1-ylmethyl]-benzamide
SMILES:
N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N)CC5)c3)c2)cc1Molecular Processing
Molecular formula
C25H22N6OS
Molecular weight
454.56
Exact mass
454.1576
XLogP
3.99
TPSA
109.62
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
127.99
Supplementary Information
Details werden geladen…
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