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Home > Indoles and Oxindole > 1169705-95-6
1169705-95-6 | 9-(Tert-Butyl)-7,12-Dihydrobenzo[2,3]Azepino[4,5-B]Indol-6(5H)-One
CAS No: 1169705-95-6 Catalog No: AG00HDRF MDL No:
Product Description
Catalog Number:
AG00HDRF
Chemical Name:
9-(Tert-Butyl)-7,12-Dihydrobenzo[2,3]Azepino[4,5-B]Indol-6(5H)-One
CAS Number:
1169705-95-6
Molecular Formula:
C20H20N2O
Molecular Weight:
304.3856
IUPAC Name:
9-tert-butyl-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
InChI:
InChI=1S/C20H20N2O/c1-20(2,3)12-8-9-17-14(10-12)15-11-18(23)21-16-7-5-4-6-13(16)19(15)22-17/h4-10,22H,11H2,1-3H3,(H,21,23)
InChI Key:
FSBVDCKGYBXQAE-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)C(C)(C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.393g/mol
Monoisotopic Mass:
304.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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