C1=CC=NC(=C1)NC2=NC=C(S2)CNC3=C(C=CC(=C3)C(=O)O)F
이름: 4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzoic acid
SMILES: C1=CC=NC(=C1)NC2=NC=C(S2)CNC3=C(C=CC(=C3)C(=O)O)F

Molecular Processing

Molecular formula
C16H13FN4O2S
Molecular weight
344.37
Exact mass
344.0743
XLogP
3.73
TPSA
87.14
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
90.32

Supplementary Information

InChIKey: XSRNYUNFNFTNCM-UHFFFAOYSA-N
동의어
SCHEMBL2868236XSRNYUNFNFTNCM-UHFFFAOYSA-N4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzoic acid
출처 보기 →
9개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→