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299207-78-6 | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indol-5-yl)thiourea
CAS No: 299207-78-6 Catalog No: AG01CAY1 MDL No:MFCD00278603
Product Description
Catalog Number:
AG01CAY1
Chemical Name:
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1H-indol-5-yl)thiourea
CAS Number:
299207-78-6
Molecular Formula:
C17H15N3O2S
Molecular Weight:
325.3849
MDL Number:
MFCD00278603
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-5-yl)thiourea
InChI:
InChI=1S/C17H15N3O2S/c23-17(19-12-1-3-14-11(9-12)5-6-18-14)20-13-2-4-15-16(10-13)22-8-7-21-15/h1-6,9-10,18H,7-8H2,(H2,19,20,23)
InChI Key:
OHBNCZCEIRFRIH-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc2c(c1)cc[nH]2)Nc1ccc2c(c1)OCCO2
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.386g/mol
Monoisotopic Mass:
325.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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