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380451-75-2 | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CAS No: 380451-75-2 Catalog No: AG01B6K9 MDL No:
Product Description
Catalog Number:
AG01B6K9
Chemical Name:
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CAS Number:
380451-75-2
Molecular Formula:
C19H14N4O4S
Molecular Weight:
394.4039
IUPAC Name:
N-(1,3-benzodioxol-5-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C19H14N4O4S/c24-17(21-11-5-6-15-16(7-11)26-10-25-15)9-28-19-23-22-18(27-19)13-8-20-14-4-2-1-3-12(13)14/h1-8,20H,9-10H2,(H,21,24)
InChI Key:
AMIFDKWTZTWBRC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(o1)c1c[nH]c2c1cccc2
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.074g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.405g/mol
Monoisotopic Mass:
394.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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