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524923-88-4 | JNJ-10229570
CAS No: 524923-88-4 Catalog No: AG01FHH9 MDL No:
Product Description
Catalog Number:
AG01FHH9
Chemical Name:
JNJ-10229570
CAS Number:
524923-88-4
Molecular Formula:
C22H19N3O2S
Molecular Weight:
389.4702
IUPAC Name:
2,3-bis(2-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-imine
InChI:
InChI=1S/C22H19N3O2S/c1-26-19-14-8-6-12-17(19)21-24-22(23-16-10-4-3-5-11-16)28-25(21)18-13-7-9-15-20(18)27-2/h3-15H,1-2H3
InChI Key:
XTHRTBCPBWJYRO-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1s/c(=N\c2ccccc2)/nc1c1ccccc1OC
UNII:
N9IX402L35
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.12g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.473g/mol
Monoisotopic Mass:
389.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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