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89813-64-9 | 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-(2-naphthalenyl)-
CAS No: 89813-64-9 Catalog No: AG003ZA8 MDL No:
Product Description
Catalog Number:
AG003ZA8
Chemical Name:
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-(2-naphthalenyl)-
CAS Number:
89813-64-9
Molecular Formula:
C19H15NOS
Molecular Weight:
305.3935
IUPAC Name:
2-naphthalen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C19H15NOS/c21-19-12-18(22-17-8-4-3-7-16(17)20-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18H,12H2,(H,20,21)
InChI Key:
PCHYARSVHIRKBB-UHFFFAOYSA-N
SMILES:
O=C1CC(Sc2c(N1)cccc2)c1ccc2c(c1)cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.395g/mol
Monoisotopic Mass:
305.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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