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73608-99-8 | Azonino[5,4-b]indol-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-(phenylmethyl)-
CAS No: 73608-99-8 Catalog No: AG005Y3K MDL No:
Product Description
Catalog Number:
AG005Y3K
Chemical Name:
Azonino[5,4-b]indol-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-(phenylmethyl)-
CAS Number:
73608-99-8
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
IUPAC Name:
3-benzyl-1,2,5,6,7,8-hexahydroazonino[5,4-b]indol-4-one
InChI:
InChI=1S/C21H22N2O/c24-21-12-6-11-20-18(17-9-4-5-10-19(17)22-20)13-14-23(21)15-16-7-2-1-3-8-16/h1-5,7-10,22H,6,11-15H2
InChI Key:
OKYFNZJUBZBENP-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(CCN1Cc1ccccc1)c1c([nH]2)cccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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