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79797-45-8 | 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(4-methylphenyl)thiourea
CAS No: 79797-45-8 Catalog No: AG005H8O MDL No:
Product Description
Catalog Number:
AG005H8O
Chemical Name:
1-[1,2-bis(4-methoxyphenyl)butyl]-3-(4-methylphenyl)thiourea
CAS Number:
79797-45-8
Molecular Formula:
C26H30N2O2S
Molecular Weight:
434.5936
IUPAC Name:
1-[1,2-bis(4-methoxyphenyl)butyl]-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C26H30N2O2S/c1-5-24(19-8-14-22(29-3)15-9-19)25(20-10-16-23(30-4)17-11-20)28-26(31)27-21-12-6-18(2)7-13-21/h6-17,24-25H,5H2,1-4H3,(H2,27,28,31)
InChI Key:
GUKROPZIWQCCOX-UHFFFAOYSA-N
SMILES:
CCC(C(c1ccc(cc1)OC)NC(=S)Nc1ccc(cc1)C)c1ccc(cc1)OC
NSC Number:
295447
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.203g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.598g/mol
Monoisotopic Mass:
434.203g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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