200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1142945-86-5
1142945-86-5 | 7H-Pyrrolo[2,3-d]pyriMidine, 2-chloro-7-[(4-Methylphenyl)sulfonyl]-4-(4-Methyl-2-thienyl)-
CAS No: 1142945-86-5 Catalog No: AG000AZZ MDL No:
Product Description
Catalog Number:
AG000AZZ
Chemical Name:
7H-Pyrrolo[2,3-d]pyriMidine, 2-chloro-7-[(4-Methylphenyl)sulfonyl]-4-(4-Methyl-2-thienyl)-
CAS Number:
1142945-86-5
Molecular Formula:
C18H14ClN3O2S2
Molecular Weight:
403.9057
IUPAC Name:
2-chloro-7-(4-methylphenyl)sulfonyl-4-(4-methylthiophen-2-yl)pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C18H14ClN3O2S2/c1-11-3-5-13(6-4-11)26(23,24)22-8-7-14-16(15-9-12(2)10-25-15)20-18(19)21-17(14)22/h3-10H,1-2H3
InChI Key:
TVRGCLFLRLGZHX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nc(Cl)nc2c1scc(c1)C
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.022g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.899g/mol
Monoisotopic Mass:
403.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.