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Home > Indoles and Oxindole > 866038-47-3
866038-47-3 | 5-[(5-methoxy-1H-indol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CAS No: 866038-47-3 Catalog No: AG00IU6Z MDL No:MFCD04125575
Product Description
Catalog Number:
AG00IU6Z
Chemical Name:
5-[(5-methoxy-1H-indol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CAS Number:
866038-47-3
Molecular Formula:
C16H15N3O4
Molecular Weight:
313.3080
MDL Number:
MFCD04125575
IUPAC Name:
6-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-1,3-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C16H15N3O4/c1-18-14(20)12(15(21)19(2)16(18)22)6-9-8-17-13-5-4-10(23-3)7-11(9)13/h4-8,20H,1-3H3
InChI Key:
DNNWDSILJPYDFX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C=C1C(=O)N(C)C(=O)N(C1=O)C)c[nH]2
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.313g/mol
Monoisotopic Mass:
313.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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