200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 80269-72-3
80269-72-3 | 11-Thia-1-azadispiro[3.0.5.1]undecan-2-one, 1,3,3-triphenyl-
CAS No: 80269-72-3 Catalog No: AG005N3B MDL No:
Product Description
Catalog Number:
AG005N3B
Chemical Name:
11-Thia-1-azadispiro[3.0.5.1]undecan-2-one, 1,3,3-triphenyl-
CAS Number:
80269-72-3
Molecular Formula:
C27H25NOS
Molecular Weight:
411.5585
IUPAC Name:
1,3,3-triphenyl-11-thia-1-azadispiro[3.0.55.14]undecan-2-one
InChI:
InChI=1S/C27H25NOS/c29-24-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27(25(30-27)19-11-4-12-20-25)28(24)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2
InChI Key:
RFBFXZWEIQUDAV-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C2(C1(c1ccccc1)c1ccccc1)SC12CCCCC1
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.166g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.563g/mol
Monoisotopic Mass:
411.166g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Related Products
© 2019 Angene International Limited. All rights Reserved.