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405165-60-8 | 1,5-Benzothiazepine, 2,3-dihydro-4-(4-methylphenyl)-2-phenyl-, (2S)-
CAS No: 405165-60-8 Catalog No: AG0076Y6 MDL No:
Product Description
Catalog Number:
AG0076Y6
Chemical Name:
1,5-Benzothiazepine, 2,3-dihydro-4-(4-methylphenyl)-2-phenyl-, (2S)-
CAS Number:
405165-60-8
Molecular Formula:
C22H19NS
Molecular Weight:
329.4580
IUPAC Name:
(2S)-4-(4-methylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
InChI:
InChI=1S/C22H19NS/c1-16-11-13-17(14-12-16)20-15-22(18-7-3-2-4-8-18)24-21-10-6-5-9-19(21)23-20/h2-14,22H,15H2,1H3/t22-/m0/s1
InChI Key:
QIIKCFPSNCDERB-QFIPXVFZSA-N
SMILES:
Cc1ccc(cc1)C1=Nc2ccccc2S[C@@H](C1)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.461g/mol
Monoisotopic Mass:
329.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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