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Home > Indoles and Oxindole > 180388-70-9
180388-70-9 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(10H-phenothiazin-10-yl)butyl]-
CAS No: 180388-70-9 Catalog No: AG0021YO MDL No:
Product Description
Catalog Number:
AG0021YO
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(10H-phenothiazin-10-yl)butyl]-
CAS Number:
180388-70-9
Molecular Formula:
C24H20N2O2S
Molecular Weight:
400.4928
IUPAC Name:
2-(4-phenothiazin-10-ylbutyl)isoindole-1,3-dione
InChI:
InChI=1S/C24H20N2O2S/c27-23-17-9-1-2-10-18(17)24(28)26(23)16-8-7-15-25-19-11-3-5-13-21(19)29-22-14-6-4-12-20(22)25/h1-6,9-14H,7-8,15-16H2
InChI Key:
YZMNCDBNMXCAEY-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCN2c3ccccc3Sc3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.125g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.496g/mol
Monoisotopic Mass:
400.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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