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5-chloro-N-[(2R)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]thiophene-2-carboxamide

5-chloro-N-[(2R)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]thiophene-2-carboxamide

CAS: 721401-53-2

Formula: C18H20ClN3O4S

SMILES: O[C@@H](CNC(=O)C1=CC=C(Cl)S1)CNC1=CC=C(C=C1)N1CCOCC1=O

IUPAC: 5-chloro-N-[(2R)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]thiophene-2-carboxamide

InChI: InChI=1S/C18H20ClN3O4S/c19-16-6-5-15(27-16)18(25)21-10-14(23)9-20-12-1-3-13(4-2-12)22-7-8-26-11-17(22)24/h1-6,14,20,23H,7-11H2,(H,21,25)/t14-/m1/s1

Composition: C (52.75%), H (4.92%), Cl (8.65%), N (10.25%), O (15.61%), S (7.82%)

Molar Mass: 409.89

Atom Count: 47

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 409.086305
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey OKMRQXXUAFSBCM-CQSZACIVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.6
Topological Polar Surface Area 90.9
Polarizability 39.3
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 721401-53-2 $80.58-$1,108.74$80.58$138.72$646.68$1,108.74
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