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89406-25-7 | 2-Naphthalenol, 1-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-
CAS No: 89406-25-7 Catalog No: AG003VY0 MDL No:
Product Description
Catalog Number:
AG003VY0
Chemical Name:
2-Naphthalenol, 1-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-
CAS Number:
89406-25-7
Molecular Formula:
C25H19NOS
Molecular Weight:
381.4895
IUPAC Name:
1-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)naphthalen-2-ol
InChI:
InChI=1S/C25H19NOS/c27-22-15-14-17-8-4-5-11-19(17)25(22)24-16-21(18-9-2-1-3-10-18)26-20-12-6-7-13-23(20)28-24/h1-15,24,27H,16H2
InChI Key:
DLIHUGUBZVGISE-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1C1CC(=Nc3c(S1)cccc3)c1ccccc1)cccc2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.119g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.493g/mol
Monoisotopic Mass:
381.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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