Name: (S)-3-[6-(2-methoxy-phenyl)-pyrimidin-4-ylcarbamoyl]-piperidine-1-carboxylic acid benzyl ester
SMILES:
COc1ccccc1-c1cc(NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)ncn1Molecular Processing
Molecular formula
C25H26N4O4
Molecular weight
446.51
Exact mass
446.1954
XLogP
4.14
TPSA
93.65
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
123.57
Supplementary Information
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