CAS: 1020334-88-6
名称: tert-butyl 4-[[3-(4-hydroxyphenoxy)phenyl]methylidene]piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(=CC2=CC(=CC=C2)OC3=CC=C(C=C3)O)CC1Molecular Processing
Molecular formula
C23H27NO4
Molecular weight
381.47
Exact mass
381.194
XLogP
5.6
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
109.64
Supplementary Information
InChIKey: RTQQMGYDYYOFFA-UHFFFAOYSA-N
同義語
tert-butyl 4-(3-(4-hydroxyphenoxy)benzylidene)piperidine-1-carboxylateSCHEMBL1011241RTQQMGYDYYOFFA-UHFFFAOYSA-NDB-1452601020334-88-6
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