Home Other Building Blocks 3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

CAS No.:
1431141-33-1
Catalog Number:
AG01BGEO
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
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Product Description
Catalog Number:
AG01BGEO
Chemical Name:
3-ethyl-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
CAS Number:
1431141-33-1
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD23794446
IUPAC Name:
3-ethyl-3-methyl-1,4-dihydro-1,4-benzodiazepine-2,5-dione
InChI:
InChI=1S/C12H14N2O2/c1-3-12(2)11(16)13-9-7-5-4-6-8(9)10(15)14-12/h4-7H,3H2,1-2H3,(H,13,16)(H,14,15)
InChI Key:
GCPFKYPINSPGSN-UHFFFAOYSA-N
SMILES:
CCC1(C)NC(=O)c2c(NC1=O)cccc2
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties