200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 139307-53-2
139307-53-2 | Benzamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)-
CAS No: 139307-53-2 Catalog No: AG001AQ9 MDL No:
Product Description
Catalog Number:
AG001AQ9
Chemical Name:
Benzamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)-
CAS Number:
139307-53-2
Molecular Formula:
C19H19N7O2S
Molecular Weight:
409.4649
IUPAC Name:
4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)-N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]benzamide
InChI:
InChI=1S/C19H19N7O2S/c1-19(2)11-25(22-17(19)28)14-8-6-12(7-9-14)16(27)20-13-4-3-5-15(10-13)26-18(29)21-23-24-26/h3-10H,11H2,1-2H3,(H,20,27)(H,22,28)(H,21,24,29)
InChI Key:
AZVDGGDJNJWVFM-UHFFFAOYSA-N
SMILES:
O=C1NN(CC1(C)C)c1ccc(cc1)C(=O)Nc1cccc(c1)n1[nH]nnc1=S
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.132g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
409.468g/mol
Monoisotopic Mass:
409.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.