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303162-59-6 | 3-Pyridinecarboxamide, N-[4-(4-methoxyphenyl)-5-[2-[(3-pyridinylcarbonyl)amino]-4-pyridinyl]-2-thiazolyl]-
CAS No: 303162-59-6 Catalog No: AG002ZP4 MDL No:
Product Description
Catalog Number:
AG002ZP4
Chemical Name:
3-Pyridinecarboxamide, N-[4-(4-methoxyphenyl)-5-[2-[(3-pyridinylcarbonyl)amino]-4-pyridinyl]-2-thiazolyl]-
CAS Number:
303162-59-6
Molecular Formula:
C27H20N6O3S
Molecular Weight:
508.5511
IUPAC Name:
N-[4-[4-(4-methoxyphenyl)-2-(pyridine-3-carbonylamino)-1,3-thiazol-5-yl]pyridin-2-yl]pyridine-3-carboxamide
InChI:
InChI=1S/C27H20N6O3S/c1-36-21-8-6-17(7-9-21)23-24(37-27(32-23)33-26(35)20-5-3-12-29-16-20)18-10-13-30-22(14-18)31-25(34)19-4-2-11-28-15-19/h2-16H,1H3,(H,30,31,34)(H,32,33,35)
InChI Key:
PBVUSJXRSJAMIY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(sc1c1ccnc(c1)NC(=O)c1cccnc1)NC(=O)c1cccnc1
Properties
Complexity:
766
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.132g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
508.556g/mol
Monoisotopic Mass:
508.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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