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102790-95-4 | 2,5-Piperazinedione,1-methyl-4-[3-(10H-phenothiazin-10-yl)propyl]-
CAS No: 102790-95-4 Catalog No: AG007J6E MDL No:
Product Description
Catalog Number:
AG007J6E
Chemical Name:
2,5-Piperazinedione,1-methyl-4-[3-(10H-phenothiazin-10-yl)propyl]-
CAS Number:
102790-95-4
Molecular Formula:
C20H21N3O2S
Molecular Weight:
367.4646
IUPAC Name:
1-methyl-4-(3-phenothiazin-10-ylpropyl)piperazine-2,5-dione
InChI:
InChI=1S/C20H21N3O2S/c1-21-13-20(25)22(14-19(21)24)11-6-12-23-15-7-2-4-9-17(15)26-18-10-5-3-8-16(18)23/h2-5,7-10H,6,11-14H2,1H3
InChI Key:
PEQGKSYOGBNQFM-UHFFFAOYSA-N
SMILES:
CN1CC(=O)N(CC1=O)CCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.467g/mol
Monoisotopic Mass:
367.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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