Home Other Building Blocks 4-(4-methoxyphenyl)-1,4-diazepan-2-one

4-(4-methoxyphenyl)-1,4-diazepan-2-one

CAS No.:
1050886-28-6
Catalog Number:
AG019MN2
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
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Product Description
Catalog Number:
AG019MN2
Chemical Name:
4-(4-methoxyphenyl)-1,4-diazepan-2-one
CAS Number:
1050886-28-6
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD10686935
IUPAC Name:
4-(4-methoxyphenyl)-1,4-diazepan-2-one
InChI:
InChI=1S/C12H16N2O2/c1-16-11-5-3-10(4-6-11)14-8-2-7-13-12(15)9-14/h3-6H,2,7-9H2,1H3,(H,13,15)
InChI Key:
KKOAKZDZAWZPEG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCCNC(=O)C1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties