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1464091-41-5 | 4H-1,2,4-Triazole-3-carboxamide, 4-(4-bromophenyl)-N-(1-methylethyl)-5-[3-(1-methylethyl)-6-(phenylmethoxy)-1H-indazol-5-yl]-
CAS No: 1464091-41-5 Catalog No: AG001DZN MDL No:
Product Description
Catalog Number:
AG001DZN
Chemical Name:
4H-1,2,4-Triazole-3-carboxamide, 4-(4-bromophenyl)-N-(1-methylethyl)-5-[3-(1-methylethyl)-6-(phenylmethoxy)-1H-indazol-5-yl]-
CAS Number:
1464091-41-5
Molecular Formula:
C29H29BrN6O2
Molecular Weight:
573.4836
IUPAC Name:
4-(4-bromophenyl)-5-(6-phenylmethoxy-3-propan-2-yl-2H-indazol-5-yl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C29H29BrN6O2/c1-17(2)26-22-14-23(25(15-24(22)32-33-26)38-16-19-8-6-5-7-9-19)27-34-35-28(29(37)31-18(3)4)36(27)21-12-10-20(30)11-13-21/h5-15,17-18H,16H2,1-4H3,(H,31,37)(H,32,33)
InChI Key:
NUJYZDATLKYUQG-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1nnc(n1c1ccc(cc1)Br)c1cc2c(cc1OCc1ccccc1)[nH]nc2C(C)C)C
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.154g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
573.495g/mol
Monoisotopic Mass:
572.154g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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