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14954-09-7 | 1,4,5-Thiadiazepine, 2,7-dihydro-3,6-diphenyl-, 1,1-dioxide
CAS No: 14954-09-7 Catalog No: AG001LT7 MDL No:
Product Description
Catalog Number:
AG001LT7
Chemical Name:
1,4,5-Thiadiazepine, 2,7-dihydro-3,6-diphenyl-, 1,1-dioxide
CAS Number:
14954-09-7
Molecular Formula:
C16H14N2O2S
Molecular Weight:
298.3596
IUPAC Name:
3,6-diphenyl-2,7-dihydro-1,4,5-thiadiazepine 1,1-dioxide
InChI:
InChI=1S/C16H14N2O2S/c19-21(20)11-15(13-7-3-1-4-8-13)17-18-16(12-21)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
NHZMERSIZAOIPM-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC(=NN=C(C1)c1ccccc1)c1ccccc1
NSC Number:
152603
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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 |
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