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126312-14-9 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-(diphenylmethyl)-
CAS No: 126312-14-9 Catalog No: AG000SJT MDL No:
Product Description
Catalog Number:
AG000SJT
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-(diphenylmethyl)-
CAS Number:
126312-14-9
Molecular Formula:
C26H30N2O
Molecular Weight:
386.5292
IUPAC Name:
1-benzhydryl-3-[2,6-di(propan-2-yl)phenyl]urea
InChI:
InChI=1S/C26H30N2O/c1-18(2)22-16-11-17-23(19(3)4)25(22)28-26(29)27-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19,24H,1-4H3,(H2,27,28,29)
InChI Key:
MAOUSLFXYWXHQH-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1C(C)C)C(C)C)NC(c1ccccc1)c1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.236g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.539g/mol
Monoisotopic Mass:
386.236g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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