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Home > Indoles and Oxindole > 860787-05-9
860787-05-9 | 3-tert-butyl-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CAS No: 860787-05-9 Catalog No: AG00IO7P MDL No:MFCD01481700
Product Description
Catalog Number:
AG00IO7P
Chemical Name:
3-tert-butyl-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CAS Number:
860787-05-9
Molecular Formula:
C16H23N3O2
Molecular Weight:
289.3727
MDL Number:
MFCD01481700
IUPAC Name:
1-tert-butyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
InChI:
InChI=1S/C16H23N3O2/c1-16(2,3)19-15(20)17-8-7-11-10-18-14-6-5-12(21-4)9-13(11)14/h5-6,9-10,18H,7-8H2,1-4H3,(H2,17,19,20)
InChI Key:
HWMSBYRXWQVLAQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCNC(=O)NC(C)(C)C)c[nH]2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.379g/mol
Monoisotopic Mass:
289.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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