이름: (R)-6-benzyl-2-chloro-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILES:
CO[C@@H]1CCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)CC1(C)CMolecular Processing
Molecular formula
C22H29ClN4O
Molecular weight
400.95
Exact mass
400.203
XLogP
3.94
TPSA
41.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
112.71
Supplementary Information
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