Home Other Building Blocks 5H-1,4-Diazepin-5-one, hexahydro-7-phenyl-

5H-1,4-Diazepin-5-one, hexahydro-7-phenyl-

CAS No.:
89044-79-1
Catalog Number:
AG0041QO
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
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Product Description
Catalog Number:
AG0041QO
Chemical Name:
5H-1,4-Diazepin-5-one, hexahydro-7-phenyl-
CAS Number:
89044-79-1
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD12197004
IUPAC Name:
7-phenyl-1,4-diazepan-5-one
InChI:
InChI=1S/C11H14N2O/c14-11-8-10(12-6-7-13-11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChI Key:
UATUVKKDKVFGGB-UHFFFAOYSA-N
SMILES:
O=C1NCCNC(C1)c1ccccc1
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties