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4-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}butanoic acid

4-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}butanoic acid

CAS: 1142209-51-5

Formula: C13H12ClN3O3S

SMILES: OC(=O)CCCC1=NN=C(S1)C(=O)NC1=CC(Cl)=CC=C1

IUPAC: 4-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}butanoic acid

InChI: InChI=1S/C13H12ClN3O3S/c14-8-3-1-4-9(7-8)15-12(20)13-17-16-10(21-13)5-2-6-11(18)19/h1,3-4,7H,2,5-6H2,(H,15,20)(H,18,19)

Composition: C (47.93%), H (3.71%), Cl (10.88%), N (12.90%), O (14.73%), S (9.84%)

Molar Mass: 325.77

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 325.0287901
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SYRJWSLECOXZJB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.14
Topological Polar Surface Area 92.18
Polarizability 29.8
Ring Count 2
Rotatable Bond Count 6

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95% <2 Days 1142209-51-5 $202.14$202.14
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