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606095-05-0 | Urea, N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]-N'-[4-(methylthio)phenyl]- (9CI)
CAS No: 606095-05-0 Catalog No: AG00F8O3 MDL No:
Product Description
Catalog Number:
AG00F8O3
Chemical Name:
Urea, N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]-N'-[4-(methylthio)phenyl]- (9CI)
CAS Number:
606095-05-0
IUPAC Name:
1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylsulfanylphenyl)urea
InChI:
InChI=1S/C22H23N3O2S/c1-14-3-10-20-15(11-14)12-16(21(26)24-20)13-25(18-6-7-18)22(27)23-17-4-8-19(28-2)9-5-17/h3-5,8-12,18H,6-7,13H2,1-2H3,(H,23,27)(H,24,26)
InChI Key:
HCQNTKWTXDUBKX-UHFFFAOYSA-N
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.151g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.505g/mol
Monoisotopic Mass:
393.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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