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4-({5-[(2-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methoxy)benzoic acid

4-({5-[(2-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methoxy)benzoic acid

CAS: 1142202-82-1

Formula: C17H12FN3O4S

SMILES: OC(=O)C1=CC=C(OCC2=NN=C(S2)C(=O)NC2=C(F)C=CC=C2)C=C1

IUPAC: 4-({5-[(2-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methoxy)benzoic acid

InChI: InChI=1S/C17H12FN3O4S/c18-12-3-1-2-4-13(12)19-15(22)16-21-20-14(26-16)9-25-11-7-5-10(6-8-11)17(23)24/h1-8H,9H2,(H,19,22)(H,23,24)

Composition: C (54.69%), H (3.24%), F (5.09%), N (11.25%), O (17.14%), S (8.59%)

Molar Mass: 373.36

Atom Count: 38

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 373.053255215
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey LBQVXFAEOQZJRZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.28
Topological Polar Surface Area 101.41
Polarizability 34.17
Ring Count 3
Rotatable Bond Count 6

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95% <2 Days 1142202-82-1 $202.14$202.14
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