CC(=O)NC1=C(C=C(C(=C1C#CC(C)(C)C)O)C(=O)OC)Br
Nom: methyl 4-acetamido-5-bromo-3-(3,3-dimethylbut-1-ynyl)-2-hydroxybenzoate
SMILES: CC(=O)NC1=C(C=C(C(=C1C#CC(C)(C)C)O)C(=O)OC)Br

Molecular Processing

Molecular formula
C16H18BrNO4
Molecular weight
368.23
Exact mass
367.0419
XLogP
3.3
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
87.78

Supplementary Information

InChIKey: WVJMPOQEQMZLGL-UHFFFAOYSA-N
Synonymes
SCHEMBL3297077WVJMPOQEQMZLGL-UHFFFAOYSA-NMethyl 4-acetylamino-5-bromo-3-(3,3-dimethyl-1-butynyl)salicylate
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→