CCOC(=O)C1=C(C=CC(=C1)C2=C(CCC2)C3=C(C=CC(=C3)C(F)(F)F)OCC4=C(C=C(C=C4)F)F)N
이름: ethyl 2-amino-5-[2-[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzoate
SMILES: CCOC(=O)C1=C(C=CC(=C1)C2=C(CCC2)C3=C(C=CC(=C3)C(F)(F)F)OCC4=C(C=C(C=C4)F)F)N

Molecular Processing

Molecular formula
C28H24F5NO3
Molecular weight
517.49
Exact mass
517.1676
XLogP
7.42
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
129.61

Supplementary Information

InChIKey: QNKUEJYUINRZCX-UHFFFAOYSA-N
동의어
3-{2-[5-Trifluoromethyl-2-(2,4-difluorobenzyloxy)phenyl]cyclopent-1-enyl)-6-aminobenzoic Acid Ethyl Ester3-{2-[5-trifluoromethyl-2-(2,4-difluorobenzyloxy)phenyl]cyclopent-1-enyl}-6-aminobenzoic acid ethyl esterSCHEMBL5619850
출처 보기 →
4개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→