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828261-89-8 | 4(1H)-Quinazolinone, 2-[(4-chlorophenyl)amino]-6-(cyclohexylthio)-
CAS No: 828261-89-8 Catalog No: AG004XLM MDL No:
Product Description
Catalog Number:
AG004XLM
Chemical Name:
4(1H)-Quinazolinone, 2-[(4-chlorophenyl)amino]-6-(cyclohexylthio)-
CAS Number:
828261-89-8
Molecular Formula:
C20H20ClN3OS
Molecular Weight:
385.9103
IUPAC Name:
2-(4-chloroanilino)-6-cyclohexylsulfanyl-3H-quinazolin-4-one
InChI:
InChI=1S/C20H20ClN3OS/c21-13-6-8-14(9-7-13)22-20-23-18-11-10-16(12-17(18)19(25)24-20)26-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,22,23,24,25)
InChI Key:
GALPYXROMNZKCE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1nc(=O)c2c([nH]1)ccc(c2)SC1CCCCC1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.102g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.91g/mol
Monoisotopic Mass:
385.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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