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84744-88-7 | 5H-Pyrimido(4,5-b)(1,4)benzothiazin-9(6H)-one, 7,8-dihydro-7,7-dimethy l-4-(4-(2-phenylethyl)-1-piperazinyl)-
CAS No: 84744-88-7 Catalog No: AG00GE81 MDL No:
Product Description
Catalog Number:
AG00GE81
Chemical Name:
5H-Pyrimido(4,5-b)(1,4)benzothiazin-9(6H)-one, 7,8-dihydro-7,7-dimethy l-4-(4-(2-phenylethyl)-1-piperazinyl)-
CAS Number:
84744-88-7
IUPAC Name:
7,7-dimethyl-4-[4-(2-phenylethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-9-one
InChI:
InChI=1S/C24H29N5OS/c1-24(2)14-18-21(19(30)15-24)31-23-20(27-18)22(25-16-26-23)29-12-10-28(11-13-29)9-8-17-6-4-3-5-7-17/h3-7,16,27H,8-15H2,1-2H3
InChI Key:
JMLSEJSFDSNCFM-UHFFFAOYSA-N
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.209g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.59g/mol
Monoisotopic Mass:
435.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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