名称: tert-butyl N-[2-(4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)-4-(2-methoxyethoxymethoxy)phenyl]carbamate
SMILES:
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)OCOCCOC)C(C#CC2CC2)(C(F)(F)F)OMolecular Processing
Molecular formula
C22H28F3NO6
Molecular weight
459.46
Exact mass
459.1869
XLogP
4.2
TPSA
86.25
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
110.07
Supplementary Information
InChIKey: KOGWLQKDPRGGID-UHFFFAOYSA-N
同義語
[2-(3-cyclopropyl-1-hydroxy-1-trifluoromethyl-prop-2-ynyl)-4-(2-methoxy-ethoxymethoxy)-phenyl]-carbamic Acid Tert-Butyl EsterSCHEMBL3816615
4 件の反応に参加→