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68745-07-3 | 5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzothiazepine
CAS No: 68745-07-3 Catalog No: AG00G0D4 MDL No:
Product Description
Catalog Number:
AG00G0D4
Chemical Name:
5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzothiazepine
CAS Number:
68745-07-3
IUPAC Name:
5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzothiazepine
InChI:
InChI=1S/C17H18N4S/c1-20-9-11-21(12-10-20)16-13-5-4-8-18-17(13)22-15-7-3-2-6-14(15)19-16/h2-8H,9-12H2,1H3
InChI Key:
VJNQLNPFELPXCU-UHFFFAOYSA-N
EC Number:
272-138-1
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:
2.2
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