Name: ((S)-2-{3-[(4-cyano-phenylcarbamoyl)-methoxy]-benzoylamino}-4,5,6,7-tetrahydro-benzothiazol-6-yl)-carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc(C#N)cc4)c3)sc2C1Molecular Processing
Molecular formula
C28H29N5O5S
Molecular weight
547.64
Exact mass
547.1889
XLogP
4.67
TPSA
142.44
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
146.97
Supplementary Information
Details werden geladen…
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