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145131-31-3 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)-2-(2-propen-1-yl)-4-penten-1-yl]-
CAS No: 145131-31-3 Catalog No: AG001KLD MDL No:
Product Description
Catalog Number:
AG001KLD
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)-2-(2-propen-1-yl)-4-penten-1-yl]-
CAS Number:
145131-31-3
Molecular Formula:
C30H39N3O
Molecular Weight:
457.6502
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)-2-prop-2-enylpent-4-enyl]urea
InChI:
InChI=1S/C30H39N3O/c1-8-17-30(18-9-2,26-19-33(7)27-16-11-10-13-25(26)27)20-31-29(34)32-28-23(21(3)4)14-12-15-24(28)22(5)6/h8-16,19,21-22H,1-2,17-18,20H2,3-7H3,(H2,31,32,34)
InChI Key:
MGIWDILGMRSILY-UHFFFAOYSA-N
SMILES:
C=CCC(c1cn(c2c1cccc2)C)(CNC(=O)Nc1c(cccc1C(C)C)C(C)C)CC=C
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.309g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
457.662g/mol
Monoisotopic Mass:
457.309g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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