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605629-19-4 | 1-Piperidinecarbothioamide,4-(2-benzoxazolyl)-N-(2,4-dimethoxyphenyl)-(9CI)
CAS No: 605629-19-4 Catalog No: AG00F87O MDL No:
Product Description
Catalog Number:
AG00F87O
Chemical Name:
1-Piperidinecarbothioamide,4-(2-benzoxazolyl)-N-(2,4-dimethoxyphenyl)-(9CI)
CAS Number:
605629-19-4
IUPAC Name:
4-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carbothioamide
InChI:
InChI=1S/C21H23N3O3S/c1-25-15-7-8-17(19(13-15)26-2)23-21(28)24-11-9-14(10-12-24)20-22-16-5-3-4-6-18(16)27-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)
InChI Key:
TZKZTLMCPKNYAX-UHFFFAOYSA-N
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.146g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.493g/mol
Monoisotopic Mass:
397.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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