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40358-31-4 | 1,5-Benzothiazepine, 2,3-dihydro-2,4-diphenyl-
CAS No: 40358-31-4 Catalog No: AG0073EZ MDL No:
Product Description
Catalog Number:
AG0073EZ
Chemical Name:
1,5-Benzothiazepine, 2,3-dihydro-2,4-diphenyl-
CAS Number:
40358-31-4
Molecular Formula:
C21H17NS
Molecular Weight:
315.4314
IUPAC Name:
2,4-diphenyl-2,3-dihydro-1,5-benzothiazepine
InChI:
InChI=1S/C21H17NS/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)23-20-14-8-7-13-18(20)22-19/h1-14,21H,15H2
InChI Key:
MPAHDNFCERDKSX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1CC(=Nc2c(S1)cccc2)c1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.434g/mol
Monoisotopic Mass:
315.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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