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143810-66-6 | 1H-Thieno[3,4-b][1,4]diazepin-2(3H)-one, 4-phenyl-
CAS No: 143810-66-6 Catalog No: AG001IEI MDL No:
Product Description
Catalog Number:
AG001IEI
Chemical Name:
1H-Thieno[3,4-b][1,4]diazepin-2(3H)-one, 4-phenyl-
CAS Number:
143810-66-6
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
IUPAC Name:
2-phenyl-3,5-dihydrothieno[3,4-b][1,4]diazepin-4-one
InChI:
InChI=1S/C13H10N2OS/c16-13-6-10(9-4-2-1-3-5-9)14-11-7-17-8-12(11)15-13/h1-5,7-8H,6H2,(H,15,16)
InChI Key:
GFHMPWYORFZTKC-UHFFFAOYSA-N
SMILES:
O=C1CC(=Nc2c(N1)csc2)c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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