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145131-53-9 | Urea, N-[2,6-bis(1-methylethoxy)phenyl]-N'-[[1-(1-methyl-1H-indol-3-yl)cyclopentyl]methyl]-
CAS No: 145131-53-9 Catalog No: AG001KL8 MDL No:
Product Description
Catalog Number:
AG001KL8
Chemical Name:
Urea, N-[2,6-bis(1-methylethoxy)phenyl]-N'-[[1-(1-methyl-1H-indol-3-yl)cyclopentyl]methyl]-
CAS Number:
145131-53-9
Molecular Formula:
C28H37N3O3
Molecular Weight:
463.6117
IUPAC Name:
1-[2,6-di(propan-2-yloxy)phenyl]-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
InChI:
InChI=1S/C28H37N3O3/c1-19(2)33-24-13-10-14-25(34-20(3)4)26(24)30-27(32)29-18-28(15-8-9-16-28)22-17-31(5)23-12-7-6-11-21(22)23/h6-7,10-14,17,19-20H,8-9,15-16,18H2,1-5H3,(H2,29,30,32)
InChI Key:
CCMPMRJQRHUYCX-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1OC(C)C)OC(C)C)NCC1(CCCC1)c1cn(c2c1cccc2)C
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.283g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
463.622g/mol
Monoisotopic Mass:
463.283g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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