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78134-70-0 | 3-ETHOXY-5-PHENYL-2,3-DIHYDRO-1,4-BENZOTHIAZEPINE; ETHYL 5-PHENYL-2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-3-YL ETHER
CAS No: 78134-70-0 Catalog No: AG0054Z5 MDL No:
Product Description
Catalog Number:
AG0054Z5
Chemical Name:
3-ETHOXY-5-PHENYL-2,3-DIHYDRO-1,4-BENZOTHIAZEPINE; ETHYL 5-PHENYL-2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-3-YL ETHER
CAS Number:
78134-70-0
Molecular Formula:
C34H34N2O2S2
Molecular Weight:
566.7760
IUPAC Name:
3-ethoxy-5-phenyl-2,3-dihydro-1,4-benzothiazepine
InChI:
InChI=1S/C17H17NOS/c1-2-19-16-12-20-15-11-7-6-10-14(15)17(18-16)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3
InChI Key:
MAIYTAQSKUNZHK-UHFFFAOYSA-N
SMILES:
CCOC1CSc2c(C(=N1)c1ccccc1)cccc2.CCOC1CSc2c(C(=N1)c1ccccc1)cccc2
NSC Number:
358123
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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