이름: 4-[5-(4-Benzyloxy-phenyl)-6-butyl-pyridazin-3-yloxy]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CCCCc1nnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCc2ccccc2)cc1Molecular Processing
Molecular formula
C31H39N3O4
Molecular weight
517.67
Exact mass
517.2941
XLogP
6.84
TPSA
73.78
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
148.31
Supplementary Information
상세 정보 불러오는 중…
7개 반응에 참여→