COC(=O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1Br
Name: methyl 2-bromo-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
SMILES: COC(=O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1Br

Molecular Processing

Molecular formula
C17H10BrCl2NO2S
Molecular weight
443.15
Exact mass
440.8993
XLogP
6.33
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
102.05

Supplementary Information

InChIKey: NMZJQYYEHXDSOW-UHFFFAOYSA-N
Synonyme
SCHEMBL14797271NMZJQYYEHXDSOW-UHFFFAOYSA-NMethyl 2-bromo-5-(4-(3,4-dichlorophenyl)thiazol-2-yl)benzoate2-bromo-5-[4-(3,4-dichloro-phenyl)-thiazol-2-yl]-benzoic acid methyl ester
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