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332867-80-8 | 1-[2-(1-Benzyl-2-methyl-1H-indol-3-yl)-ethyl]-3-phenyl-thiourea
CAS No: 332867-80-8 Catalog No: AG01EVBA MDL No:
Product Description
Catalog Number:
AG01EVBA
Chemical Name:
1-[2-(1-Benzyl-2-methyl-1H-indol-3-yl)-ethyl]-3-phenyl-thiourea
CAS Number:
332867-80-8
Molecular Formula:
C25H25N3S
Molecular Weight:
399.5511
IUPAC Name:
1-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-3-phenylthiourea
InChI:
InChI=1S/C25H25N3S/c1-19-22(16-17-26-25(29)27-21-12-6-3-7-13-21)23-14-8-9-15-24(23)28(19)18-20-10-4-2-5-11-20/h2-15H,16-18H2,1H3,(H2,26,27,29)
InChI Key:
XRGUNBSYHNYHBQ-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NCCc1c2ccccc2n(c1C)Cc1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.177g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.556g/mol
Monoisotopic Mass:
399.177g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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