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2-(1,2-benzoxazol-3-yl)-N-{[(4-chlorophenyl)carbamothioyl]amino}acetamide

2-(1,2-benzoxazol-3-yl)-N-{[(4-chlorophenyl)carbamothioyl]amino}acetamide

CAS: 860651-57-6

Formula: C16H13ClN4O2S

SMILES: ClC1=CC=C(NC(=S)NNC(=O)CC2=NOC3=CC=CC=C23)C=C1

IUPAC: 2-(1,2-benzoxazol-3-yl)-N-{[(4-chlorophenyl)carbamothioyl]amino}acetamide

InChI: InChI=1S/C16H13ClN4O2S/c17-10-5-7-11(8-6-10)18-16(24)20-19-15(22)9-13-12-3-1-2-4-14(12)23-21-13/h1-8H,9H2,(H,19,22)(H2,18,20,24)

Composition: C (53.26%), H (3.63%), Cl (9.82%), N (15.53%), O (8.87%), S (8.89%)

Molar Mass: 360.82

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 360.0447745
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey XUNYVVQWXXJYEQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.38
Topological Polar Surface Area 79.19
Polarizability 37.74
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860651-57-6 $51.35-$524.40$51.35$63.37$86.31$524.40
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