Text Search
Structure Search

N-(4-bromo-2,6-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C19H19BrN4O2S

SMILES: COC1=CC=C(C=C1)C1=NC(SCC(=O)NC2=C(C)C=C(Br)C=C2C)=NN1

IUPAC: N-(4-bromo-2,6-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C19H19BrN4O2S/c1-11-8-14(20)9-12(2)17(11)21-16(25)10-27-19-22-18(23-24-19)13-4-6-15(26-3)7-5-13/h4-9H,10H2,1-3H3,(H,21,25)(H,22,23,24)

Composition: C (51.01%), H (4.28%), Br (17.86%), N (12.52%), O (7.15%), S (7.17%)

Molar Mass: 447.35

Atom Count: 46

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 446.04121
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RTSCWVFAEPWVDP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 125.4
Topological Polar Surface Area 79.9
Polarizability 42.87
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H19BrN4O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote