Name: Name:Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, (αS)-
Brand: Angene
SKU: AG000L8O
Rating: 90 (10 reviews)

Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, (αS)-

CAS No.:

123931-31-7

Catalog Number:

AG000L8O

Molecular Formula:

C26H36N2O4

Molecular Weight:

440.5750

Catalog Number:

AG000L8O

Chemical Name:

Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-, (αS)-

CAS Number:

123931-31-7

Molecular Formula:

C26H36N2O4

Molecular Weight:

440.5750

IUPAC Name:

(2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile

InChI:

InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3/t26-/m0/s1

InChI Key:

UPKQNCPKPOLASS-SANMLTNESA-N

SMILES:

COc1ccc(cc1OC)CCNCCC[C@@](c1ccc(c(c1)OC)OC)(C(C)C)C#N

UNII:

20YAJ9077G

Complexity:

577

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

440.268g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

440.584g/mol

Monoisotopic Mass:

440.268g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3