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Home > Other Heterocycles > 1429900-99-1
1429900-99-1 | 1,2,4,5-tetrahydrospiro[1,4-benzodiazepine-3,1'-cyclohexane]-2,5-dione
CAS No: 1429900-99-1 Catalog No: AG01B5VL MDL No:MFCD24038542
Product Description
Catalog Number:
AG01B5VL
Chemical Name:
1,2,4,5-tetrahydrospiro[1,4-benzodiazepine-3,1'-cyclohexane]-2,5-dione
CAS Number:
1429900-99-1
MDL Number:
MFCD24038542
IUPAC Name:
spiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclohexane]-2,5-dione
InChI:
InChI=1S/C14H16N2O2/c17-12-10-6-2-3-7-11(10)15-13(18)14(16-12)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2,(H,15,18)(H,16,17)
InChI Key:
RJHIKRCZAYTASA-UHFFFAOYSA-N
SMILES:
O=C1NC2(CCCCC2)C(=O)Nc2c1cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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