200,000+ products from a single source!
sales@angenechem.com
29476-22-0 | 2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CAS No: 29476-22-0 Catalog No: AG019MSB MDL No:MFCD00158619
Product Description
Catalog Number:
AG019MSB
Chemical Name:
2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CAS Number:
29476-22-0
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
MDL Number:
MFCD00158619
IUPAC Name:
2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C15H13NOS/c17-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-9,14H,10H2,(H,16,17)
InChI Key:
XIJZRXDBTDOULF-UHFFFAOYSA-N
SMILES:
O=C1CC(Sc2c(N1)cccc2)c1ccccc1
NSC Number:
685713
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.