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87673-14-1 | Ethanamine, N,N-diethyl-2-((4-methyl-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)-
CAS No: 87673-14-1 Catalog No: AG004NZX MDL No:
Product Description
Catalog Number:
AG004NZX
Chemical Name:
Ethanamine, N,N-diethyl-2-((4-methyl-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)-
CAS Number:
87673-14-1
Molecular Formula:
C21H27NOS
Molecular Weight:
341.5102
IUPAC Name:
N,N-diethyl-2-[(4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine
InChI:
InChI=1S/C21H27NOS/c1-4-22(5-2)13-14-24-21-18-11-7-6-10-17(18)15-23-20-16(3)9-8-12-19(20)21/h6-12,21H,4-5,13-15H2,1-3H3
InChI Key:
HBSUWBXTUSZLDU-UHFFFAOYSA-N
SMILES:
CCN(CCSC1c2ccccc2COc2c1cccc2C)CC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.181g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.513g/mol
Monoisotopic Mass:
341.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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