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74148-62-2 | 1,5-Benzothiazepine, 2,3-dihydro-2-methyl-4-(4-methylphenyl)-
CAS No: 74148-62-2 Catalog No: AG005ZNU MDL No:
Product Description
Catalog Number:
AG005ZNU
Chemical Name:
1,5-Benzothiazepine, 2,3-dihydro-2-methyl-4-(4-methylphenyl)-
CAS Number:
74148-62-2
Molecular Formula:
C17H17NS
Molecular Weight:
267.3886
IUPAC Name:
2-methyl-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
InChI:
InChI=1S/C17H17NS/c1-12-7-9-14(10-8-12)16-11-13(2)19-17-6-4-3-5-15(17)18-16/h3-10,13H,11H2,1-2H3
InChI Key:
YHYSDAQEMHUGHT-UHFFFAOYSA-N
SMILES:
CC1CC(=Nc2c(S1)cccc2)c1ccc(cc1)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.39g/mol
Monoisotopic Mass:
267.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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