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Home > Indoles and Oxindole > 866041-14-7
866041-14-7 | 5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CAS No: 866041-14-7 Catalog No: AG00IPZC MDL No:MFCD04125738
Product Description
Catalog Number:
AG00IPZC
Chemical Name:
5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CAS Number:
866041-14-7
Molecular Formula:
C16H17N3O4
Molecular Weight:
315.3239
MDL Number:
MFCD04125738
IUPAC Name:
5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C16H17N3O4/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/h4-5,7-8,12,17H,6H2,1-3H3
InChI Key:
HCPABPRTIUHIOH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CC1C(=O)N(C)C(=O)N(C1=O)C)c[nH]2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.329g/mol
Monoisotopic Mass:
315.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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