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Home > Nitro Compounds > 303151-64-6
303151-64-6 | 4-[(4-methoxyphenyl)methyl]-8-(4-nitrophenyl)-1-oxa-4,8-diazaspiro[4.5]decane
CAS No: 303151-64-6 Catalog No: AG00INC3 MDL No:MFCD00173321
Product Description
Catalog Number:
AG00INC3
Chemical Name:
4-[(4-methoxyphenyl)methyl]-8-(4-nitrophenyl)-1-oxa-4,8-diazaspiro[4.5]decane
CAS Number:
303151-64-6
Molecular Formula:
C21H25N3O4
Molecular Weight:
383.4409
MDL Number:
MFCD00173321
IUPAC Name:
4-[(4-methoxyphenyl)methyl]-8-(4-nitrophenyl)-1-oxa-4,8-diazaspiro[4.5]decane
InChI:
InChI=1S/C21H25N3O4/c1-27-20-8-2-17(3-9-20)16-23-14-15-28-21(23)10-12-22(13-11-21)18-4-6-19(7-5-18)24(25)26/h2-9H,10-16H2,1H3
InChI Key:
AZZICYIBRICOKF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCOC21CCN(CC2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.185g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.448g/mol
Monoisotopic Mass:
383.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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