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88048-51-5 | Carbamic acid, [2-(2,2-di-1H-indol-3-ylethyl)phenyl]-, ethyl ester
CAS No: 88048-51-5 Catalog No: AG004IX5 MDL No:
Product Description
Catalog Number:
AG004IX5
Chemical Name:
Carbamic acid, [2-(2,2-di-1H-indol-3-ylethyl)phenyl]-, ethyl ester
CAS Number:
88048-51-5
Molecular Formula:
C27H25N3O2
Molecular Weight:
423.5063
IUPAC Name:
ethyl N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]carbamate
InChI:
InChI=1S/C27H25N3O2/c1-2-32-27(31)30-24-12-6-3-9-18(24)15-21(22-16-28-25-13-7-4-10-19(22)25)23-17-29-26-14-8-5-11-20(23)26/h3-14,16-17,21,28-29H,2,15H2,1H3,(H,30,31)
InChI Key:
YKUZNYVAMJSOJM-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccccc1CC(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.195g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
423.516g/mol
Monoisotopic Mass:
423.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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