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81224-00-2 | 1H-Thieno[2,3-c]-1,2-diazepine, 1-acetyl-3,5-dimethyl-
CAS No: 81224-00-2 Catalog No: AG0054VV MDL No:
Product Description
Catalog Number:
AG0054VV
Chemical Name:
1H-Thieno[2,3-c]-1,2-diazepine, 1-acetyl-3,5-dimethyl-
CAS Number:
81224-00-2
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
IUPAC Name:
1-(3,5-dimethylthieno[2,3-c]diazepin-1-yl)ethanone
InChI:
InChI=1S/C11H12N2OS/c1-7-6-8(2)12-13(9(3)14)11-10(7)4-5-15-11/h4-6H,1-3H3
InChI Key:
IGCAJPCYIMLQLB-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C)c2c(C(=C1)C)ccs2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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