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Home > Indoles and Oxindole > 671783-60-1
671783-60-1 | 1H-Indole-2-carboxamide, N-(2-mercapto-2-methylpropyl)-5-methoxy-
CAS No: 671783-60-1 Catalog No: AG0063YS MDL No:
Product Description
Catalog Number:
AG0063YS
Chemical Name:
1H-Indole-2-carboxamide, N-(2-mercapto-2-methylpropyl)-5-methoxy-
CAS Number:
671783-60-1
Molecular Formula:
C14H18N2O2S
Molecular Weight:
278.3699
IUPAC Name:
5-methoxy-N-(2-methyl-2-sulfanylpropyl)-1H-indole-2-carboxamide
InChI:
InChI=1S/C14H18N2O2S/c1-14(2,19)8-15-13(17)12-7-9-6-10(18-3)4-5-11(9)16-12/h4-7,16,19H,8H2,1-3H3,(H,15,17)
InChI Key:
YSPCXMQPWAKPAU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc([nH]2)C(=O)NCC(S)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.37g/mol
Monoisotopic Mass:
278.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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