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1020719-39-4 | 5H-Dibenz[b,f]azepine-1,2,3,4-d4-5-carboxamide, 10,11-dihydro-10-hydroxy-
CAS No: 1020719-39-4 Catalog No: AG0006JL MDL No:
Product Description
Catalog Number:
AG0006JL
Chemical Name:
5H-Dibenz[b,f]azepine-1,2,3,4-d4-5-carboxamide, 10,11-dihydro-10-hydroxy-
CAS Number:
1020719-39-4
Molecular Formula:
C15H10D4N2O2
Molecular Weight:
258.3085
IUPAC Name:
1,2,3,4-tetradeuterio-6-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
InChI:
InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/i1D,3D,5D,7D
InChI Key:
BMPDWHIDQYTSHX-DNZPNURCSA-N
SMILES:
c1([2H])c([2H])c([2H])c2c(c1[2H])CC(O)c1c(N2C(=O)N)cccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
258.313g/mol
Monoisotopic Mass:
258.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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