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CAS No.:
1985606-53-8
Catalog Number:
AG01DYAG
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DYAG
CAS Number:
1985606-53-8
MDL Number:
MFCD31706267
IUPAC Name:
(3S)-2-(7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-11-phenylmethoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
InChI:
InChI=1S/C31H25F2N3O4S/c32-23-11-10-20-22(27(23)33)18-41-25-9-5-4-8-21(25)28(20)36-26-17-39-15-14-34(26)31(38)29-30(24(37)12-13-35(29)36)40-16-19-6-2-1-3-7-19/h1-13,26,28H,14-18H2/t26-,28?/m0/s1
InChI Key:
DFYPBBJPWOUUJP-QODXOHEASA-N
Properties
Complexity:
1080  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
573.153g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
573.615g/mol
Monoisotopic Mass:
573.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties