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(5Z)-5-{[2-oxo-6'-(piperazin-1-yl)-1H-[3,3'-bipyridin]-5-yl]methylidene}-1,3-thiazolidine-2,4-dione

(5Z)-5-{[2-oxo-6'-(piperazin-1-yl)-1H-[3,3'-bipyridin]-5-yl]methylidene}-1,3-thiazolidine-2,4-dione

CAS: 1365986-44-2

Formula: C18H17N5O3S

SMILES: O=C1NC(=O)C(S1)=CC1=CNC(=O)C(=C1)C1=CC=C(N=C1)N1CCNCC1

IUPAC: (5Z)-5-{[2-oxo-6'-(piperazin-1-yl)-1,2-dihydro-[3,3'-bipyridin]-5-yl]methylidene}-1,3-thiazolidine-2,4-dione

InChI: InChI=1S/C18H17N5O3S/c24-16-13(7-11(9-21-16)8-14-17(25)22-18(26)27-14)12-1-2-15(20-10-12)23-5-3-19-4-6-23/h1-2,7-10,19H,3-6H2,(H,21,24)(H,22,25,26)/b14-8-

Composition: C (56.39%), H (4.47%), N (18.27%), O (12.52%), S (8.36%)

Molar Mass: 383.43

Atom Count: 44

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 383.105210601
Formal Charge 0
FSP3 0.22
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey YHUKWWWCNSTFHL-ZSOIEALJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.24
Topological Polar Surface Area 103.43
Polarizability 38.76
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1365986-44-2 $55.04-$213.27$55.04$96.31$213.27
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