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143692-53-9 | Acetamide, N-[4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]-
CAS No: 143692-53-9 Catalog No: AG001I7E MDL No:
Product Description
Catalog Number:
AG001I7E
Chemical Name:
Acetamide, N-[4-(7-acetyl-8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]-
CAS Number:
143692-53-9
Molecular Formula:
C21H21N3O4
Molecular Weight:
379.4091
IUPAC Name:
N-[4-(7-acetyl-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide
InChI:
InChI=1S/C21H21N3O4/c1-12-8-16-9-19-20(28-11-27-19)10-18(16)21(23-24(12)14(3)26)15-4-6-17(7-5-15)22-13(2)25/h4-7,9-10,12H,8,11H2,1-3H3,(H,22,25)
InChI Key:
RNJAHAXIBIIAHU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C1=NN(C(=O)C)C(Cc2c1cc1OCOc1c2)C
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.416g/mol
Monoisotopic Mass:
379.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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