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175606-24-3 | 1H-1,4-Benzodiazepine-2,5-dione, 4-butyl-3,4-dihydro-7-iodo-3-phenyl-
CAS No: 175606-24-3 Catalog No: AG00212I MDL No:
Product Description
Catalog Number:
AG00212I
Chemical Name:
1H-1,4-Benzodiazepine-2,5-dione, 4-butyl-3,4-dihydro-7-iodo-3-phenyl-
CAS Number:
175606-24-3
Molecular Formula:
C19H19IN2O2
Molecular Weight:
434.2708
IUPAC Name:
4-butyl-7-iodo-3-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
InChI:
InChI=1S/C19H19IN2O2/c1-2-3-11-22-17(13-7-5-4-6-8-13)18(23)21-16-10-9-14(20)12-15(16)19(22)24/h4-10,12,17H,2-3,11H2,1H3,(H,21,23)
InChI Key:
WJVHCLYBPSWTPE-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)c2cc(I)ccc2NC(=O)C1c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.277g/mol
Monoisotopic Mass:
434.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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