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Home > Nitro Compounds > 339011-69-7
339011-69-7 | 4-(4-methoxybenzoyl)-8-(4-nitrophenyl)-1-oxa-4,8-diazaspiro[4.5]decane
CAS No: 339011-69-7 Catalog No: AG00IVHX MDL No:MFCD00172863
Product Description
Catalog Number:
AG00IVHX
Chemical Name:
4-(4-methoxybenzoyl)-8-(4-nitrophenyl)-1-oxa-4,8-diazaspiro[4.5]decane
CAS Number:
339011-69-7
Molecular Formula:
C21H23N3O5
Molecular Weight:
397.4244
MDL Number:
MFCD00172863
IUPAC Name:
(4-methoxyphenyl)-[8-(4-nitrophenyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]methanone
InChI:
InChI=1S/C21H23N3O5/c1-28-19-8-2-16(3-9-19)20(25)23-14-15-29-21(23)10-12-22(13-11-21)17-4-6-18(7-5-17)24(26)27/h2-9H,10-15H2,1H3
InChI Key:
UYXUAZQOHRVXMT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)N1CCOC21CCN(CC2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.164g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.431g/mol
Monoisotopic Mass:
397.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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