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136772-40-2 | Pyrido[4,3-b][1,4]benzothiazepine, 10-(4-methyl-1-piperazinyl)-
CAS No: 136772-40-2 Catalog No: AG0012C6 MDL No:
Product Description
Catalog Number:
AG0012C6
Chemical Name:
Pyrido[4,3-b][1,4]benzothiazepine, 10-(4-methyl-1-piperazinyl)-
CAS Number:
136772-40-2
Molecular Formula:
C17H18N4S
Molecular Weight:
310.4166
IUPAC Name:
6-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepine
InChI:
InChI=1S/C17H18N4S/c1-20-8-10-21(11-9-20)17-13-4-2-3-5-15(13)22-16-6-7-18-12-14(16)19-17/h2-7,12H,8-11H2,1H3
InChI Key:
GCTKZGZNZBTSIN-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1=Nc2cnccc2Sc2c1cccc2
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.419g/mol
Monoisotopic Mass:
310.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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