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4-{[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]methyl}-N-phenylbenzamide

4-{[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]methyl}-N-phenylbenzamide

Formula: C23H19N3O2S2

SMILES: CC(=O)NC1=CC=C2N=C(SCC3=CC=C(C=C3)C(=O)NC3=CC=CC=C3)SC2=C1

IUPAC: 4-{[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]methyl}-N-phenylbenzamide

InChI: InChI=1S/C23H19N3O2S2/c1-15(27)24-19-11-12-20-21(13-19)30-23(26-20)29-14-16-7-9-17(10-8-16)22(28)25-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,27)(H,25,28)

Composition: C (63.72%), H (4.42%), N (9.69%), O (7.38%), S (14.79%)

Molar Mass: 433.54

Atom Count: 49

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 433.091869212
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FJIBNQLMTCVZCQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 124.42
Topological Polar Surface Area 71.09
Polarizability 47.62
Ring Count 4
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H19N3O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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