Text Search
Structure Search

2-({1-[(4-methylphenyl)methyl]-1,3-benzodiazol-2-yl}sulfanyl)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide

2-({1-[(4-methylphenyl)methyl]-1,3-benzodiazol-2-yl}sulfanyl)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide

Formula: C23H21N5OS

SMILES: CC1=CC=C(CN2C(SCC(=O)NN=CC3=CC=CN=C3)=NC3=CC=CC=C23)C=C1

IUPAC: 2-({1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N'-[(E)-(pyridin-3-yl)methylidene]acetohydrazide

InChI: InChI=1S/C23H21N5OS/c1-17-8-10-18(11-9-17)15-28-21-7-3-2-6-20(21)26-23(28)30-16-22(29)27-25-14-19-5-4-12-24-13-19/h2-14H,15-16H2,1H3,(H,27,29)/b25-14+

Composition: C (66.48%), H (5.09%), N (16.85%), O (3.85%), S (7.72%)

Molar Mass: 415.52

Atom Count: 51

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 415.14668149
Formal Charge 0
FSP3 0.13
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PHBGZYDZTFLHIG-AFUMVMLFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.75
Topological Polar Surface Area 72.17
Polarizability 46.99
Ring Count 4
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H21N5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote