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17319-11-8 | 9H-Thioxanthen-9-one, 6-chloro-1-[[2-[ethyl(2-hydroxyethyl)amino]ethyl]amino]-4-(hydroxymethyl)-
CAS No: 17319-11-8 Catalog No: AG001YP4 MDL No:
Product Description
Catalog Number:
AG001YP4
Chemical Name:
9H-Thioxanthen-9-one, 6-chloro-1-[[2-[ethyl(2-hydroxyethyl)amino]ethyl]amino]-4-(hydroxymethyl)-
CAS Number:
17319-11-8
Molecular Formula:
C20H23ClN2O3S
Molecular Weight:
406.9262
IUPAC Name:
6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
InChI:
InChI=1S/C20H23ClN2O3S/c1-2-23(9-10-24)8-7-22-16-6-3-13(12-25)20-18(16)19(26)15-5-4-14(21)11-17(15)27-20/h3-6,11,22,24-25H,2,7-10,12H2,1H3
InChI Key:
CTALNPUOYPMUNW-UHFFFAOYSA-N
SMILES:
OCCN(CCNc1ccc(c2c1c(=O)c1c(s2)cc(cc1)Cl)CO)CC
UNII:
65NOM7AS4L
NSC Number:
166374
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.112g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.925g/mol
Monoisotopic Mass:
406.112g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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