200,000+ products from a single source!
sales@angenechem.com
121608-36-4 | 4,6(1H,5H)-Pyrimidinedione, 1-(2,6-dichlorophenyl)dihydro-5-[(4-methoxyphenyl)methylene]-3-[4-(4-morpholinyl)phenyl]-2-thioxo-
CAS No: 121608-36-4 Catalog No: AG0015EP MDL No:
Product Description
Catalog Number:
AG0015EP
Chemical Name:
4,6(1H,5H)-Pyrimidinedione, 1-(2,6-dichlorophenyl)dihydro-5-[(4-methoxyphenyl)methylene]-3-[4-(4-morpholinyl)phenyl]-2-thioxo-
CAS Number:
121608-36-4
Molecular Formula:
C28H23Cl2N3O4S
Molecular Weight:
568.4709
IUPAC Name:
1-(2,6-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C28H23Cl2N3O4S/c1-36-21-11-5-18(6-12-21)17-22-26(34)32(20-9-7-19(8-10-20)31-13-15-37-16-14-31)28(38)33(27(22)35)25-23(29)3-2-4-24(25)30/h2-12,17H,13-16H2,1H3
InChI Key:
GHAWZYGKVZFVIR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1C(=O)N(c2ccc(cc2)N2CCOCC2)C(=S)N(C1=O)c1c(Cl)cccc1Cl
Properties
Complexity:
904
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.079g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.469g/mol
Monoisotopic Mass:
567.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.