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3-[(E)-({3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]-1-phenylthiourea

3-[(E)-({3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]-1-phenylthiourea

Formula: C23H22N4O5S

SMILES: COC1=CC(C=NNC(=S)NC2=CC=CC=C2)=CC=C1OCCOC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 3-[(E)-({3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]-1-phenylthiourea

InChI: InChI=1S/C23H22N4O5S/c1-30-22-15-17(16-24-26-23(33)25-18-5-3-2-4-6-18)7-12-21(22)32-14-13-31-20-10-8-19(9-11-20)27(28)29/h2-12,15-16H,13-14H2,1H3,(H2,25,26,33)/b24-16+

Composition: C (59.22%), H (4.75%), N (12.01%), O (17.15%), S (6.87%)

Molar Mass: 466.51

Atom Count: 55

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 466.131090998
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey PZHLEFHYZVJBJP-LFVJCYFKSA-N
Lipinski's Rule of Five
Molar Refractivity 130.49
Topological Polar Surface Area 107.25
Polarizability 49.04
Ring Count 3
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H22N4O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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