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80565-58-8 | alpha-(Dimethylaminomethyl)-2-(3-ethyl-5-methyl-4-isoxazolyl)-1H-indole-3-methanol
CAS No: 80565-58-8 Catalog No: AG005KJ8 MDL No:
Product Description
Catalog Number:
AG005KJ8
Chemical Name:
alpha-(Dimethylaminomethyl)-2-(3-ethyl-5-methyl-4-isoxazolyl)-1H-indole-3-methanol
CAS Number:
80565-58-8
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
IUPAC Name:
2-(dimethylamino)-1-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-indol-3-yl]ethanol
InChI:
InChI=1S/C18H23N3O2/c1-5-13-16(11(2)23-20-13)18-17(15(22)10-21(3)4)12-8-6-7-9-14(12)19-18/h6-9,15,19,22H,5,10H2,1-4H3
InChI Key:
GMGOZCSXMVXXRS-UHFFFAOYSA-N
SMILES:
CCc1noc(c1c1[nH]c2c(c1C(CN(C)C)O)cccc2)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.401g/mol
Monoisotopic Mass:
313.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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