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13082-24-1 | Ethanone, 1-[10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl]-2-(4-morpholinyl)-
CAS No: 13082-24-1 Catalog No: AG000UZU MDL No:
Product Description
Catalog Number:
AG000UZU
Chemical Name:
Ethanone, 1-[10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl]-2-(4-morpholinyl)-
CAS Number:
13082-24-1
Molecular Formula:
C23H29N3O2S
Molecular Weight:
411.5603
IUPAC Name:
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanone
InChI:
InChI=1S/C23H29N3O2S/c1-17(24(2)3)15-26-19-6-4-5-7-22(19)29-23-9-8-18(14-20(23)26)21(27)16-25-10-12-28-13-11-25/h4-9,14,17H,10-13,15-16H2,1-3H3
InChI Key:
WLZQYAHCMAYIJT-UHFFFAOYSA-N
SMILES:
CN(C(CN1c2cc(ccc2Sc2c1cccc2)C(=O)CN1CCOCC1)C)C
Properties
Complexity:
554
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:
6
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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