Name: Name:Carbonic acid 5-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-2,4-bis(1,1-dimethylethyl)phenyl methyl ester
Brand: Angene
SKU: AG009YPM
Rating: 90 (10 reviews)

Carbonic acid 5-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-2,4-bis(1,1-dimethylethyl)phenyl methyl ester

CAS No.:

1246213-45-5

Catalog Number:

AG009YPM

Molecular Formula:

C26H30N2O5

Molecular Weight:

450.5268

Catalog Number:

AG009YPM

Chemical Name:

Carbonic acid 5-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-2,4-bis(1,1-dimethylethyl)phenyl methyl ester

CAS Number:

1246213-45-5

Molecular Formula:

C26H30N2O5

Molecular Weight:

450.5268

MDL Number:

MFCD22665917

IUPAC Name:

[2,4-ditert-butyl-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate

InChI:

InChI=1S/C26H30N2O5/c1-25(2,3)17-12-18(26(4,5)6)21(33-24(31)32-7)13-20(17)28-23(30)16-14-27-19-11-9-8-10-15(19)22(16)29/h8-14H,1-7H3,(H,27,29)(H,28,30)

InChI Key:

BGYWKTZGOHFARN-UHFFFAOYSA-N

SMILES:

COC(=O)Oc1cc(NC(=O)c2c[nH]c3c(c2=O)cccc3)c(cc1C(C)(C)C)C(C)(C)C

Complexity:

792

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

450.215g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

450.535g/mol

Monoisotopic Mass:

450.215g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.1