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N-(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)-5-(1,2-dithiolan-3-yl)pentanamide

N-(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)-5-(1,2-dithiolan-3-yl)pentanamide

CAS: 292615-75-9

Formula: C20H26N2O4S3

SMILES: O=C(CCCCC1CCSS1)NCCOC1=CC=C(CC2SC(=O)NC2=O)C=C1

IUPAC: N-(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)-5-(1,2-dithiolan-3-yl)pentanamide

InChI: InChI=1/C20H26N2O4S3/c23-18(4-2-1-3-16-9-12-27-29-16)21-10-11-26-15-7-5-14(6-8-15)13-17-19(24)22-20(25)28-17/h5-8,16-17H,1-4,9-13H2,(H,21,23)(H,22,24,25)

Composition: C (52.84%), H (5.76%), N (6.16%), O (14.08%), S (21.16%)

Molar Mass: 454.62

Atom Count: 55

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 454.105470847
Formal Charge 0
FSP3 0.55
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VDWFJOXRKJFJMP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.24
Topological Polar Surface Area 84.5
Polarizability 47.13
Ring Count 3
Rotatable Bond Count 11

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 292615-75-9 $49.45-$1,675.55$49.45$217.35$384.10$1,675.55
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