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88724-25-8 | 1,5-Naphthyridine, 6-[(4-chlorophenyl)thio]-1,2-dihydro-2,2,4-trimethyl-
CAS No: 88724-25-8 Catalog No: AG00453L MDL No:
Product Description
Catalog Number:
AG00453L
Chemical Name:
1,5-Naphthyridine, 6-[(4-chlorophenyl)thio]-1,2-dihydro-2,2,4-trimethyl-
CAS Number:
88724-25-8
Molecular Formula:
C17H17ClN2S
Molecular Weight:
316.8483
IUPAC Name:
6-(4-chlorophenyl)sulfanyl-2,2,4-trimethyl-1H-1,5-naphthyridine
InChI:
InChI=1S/C17H17ClN2S/c1-11-10-17(2,3)20-14-8-9-15(19-16(11)14)21-13-6-4-12(18)5-7-13/h4-10,20H,1-3H3
InChI Key:
MRVMZANYBBDCRC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1ccc2c(n1)C(=CC(N2)(C)C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.847g/mol
Monoisotopic Mass:
316.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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