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13065-64-0 | Ethanone, 1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]-2-(4-morpholinyl)-
CAS No: 13065-64-0 Catalog No: AG000UQQ MDL No:
Product Description
Catalog Number:
AG000UQQ
Chemical Name:
Ethanone, 1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]-2-(4-morpholinyl)-
CAS Number:
13065-64-0
Molecular Formula:
C23H29N3O2S
Molecular Weight:
411.5603
IUPAC Name:
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanone
InChI:
InChI=1S/C23H29N3O2S/c1-24(2)10-5-11-26-19-6-3-4-7-22(19)29-23-9-8-18(16-20(23)26)21(27)17-25-12-14-28-15-13-25/h3-4,6-9,16H,5,10-15,17H2,1-2H3
InChI Key:
TYPDTFWUBJTYNI-UHFFFAOYSA-N
SMILES:
CN(CCCN1c2cc(ccc2Sc2c1cccc2)C(=O)CN1CCOCC1)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.198g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.564g/mol
Monoisotopic Mass:
411.198g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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