Compound C17H16N2O2S

2-[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-5-yl]acetic acid

CAS: 36774-73-9

Molecular Formula	`C17H16N2O2S`
Molecular Weight	312.4 g/mol
LogP	3.8
Topological Polar Surface Area	81.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	312.09326
Heavy Atoms	22
Complexity	396.0

Chemical Identifiers

CAS Number	36774-73-9
SMILES	`CN(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O`
InChIKey	`BIRDTWYHBGEPKA-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H16N2O2S (CAS: 36774-73-9) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.4 g/mol. Its IUPAC systematic name is 2-[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-5-yl]acetic acid. LogP 3.8 Topological Polar Surface Area 81.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 312.09326 Heavy Atoms 22 Complexity 396.0 InChI Key: BIRDTWYHBGEPKA-UHFFFAOYSA-N. SMILES: CN(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O.

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