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5667-03-8 | 2-Phenyl-1,5-benzothiazepin-4(5H)-one
CAS No: 5667-03-8 Catalog No: AG00EZNX MDL No:
Product Description
Catalog Number:
AG00EZNX
Chemical Name:
2-Phenyl-1,5-benzothiazepin-4(5H)-one
CAS Number:
5667-03-8
IUPAC Name:
2-phenyl-5H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C15H11NOS/c17-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-10H,(H,16,17)
InChI Key:
DWHHMNUHVCUPMD-UHFFFAOYSA-N
UNII:
GY9G7G8M0K
NSC Number:
167704
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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