Name: Name:1,4-Bis[(9S)-10,11-dihydro-6′-methoxycinchonan-9-yl]-9,10-anthracenedione
Brand: Angene
SKU: AG0024K0
Rating: 90 (10 reviews)

1,4-Bis[(9S)-10,11-dihydro-6′-methoxycinchonan-9-yl]-9,10-anthracenedione

CAS No.:

176298-44-5

Catalog Number:

AG0024K0

Molecular Formula:

C54H52N4O4

Molecular Weight:

821.0151

Catalog Number:

AG0024K0

Chemical Name:

1,4-Bis[(9S)-10,11-dihydro-6′-methoxycinchonan-9-yl]-9,10-anthracenedione

CAS Number:

176298-44-5

Molecular Formula:

C54H52N4O4

Molecular Weight:

821.0151

MDL Number:

MFCD00467216

IUPAC Name:

1,4-bis[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]anthracene-9,10-dione

InChI:

InChI=1S/C54H52N4O4/c1-5-31-29-57-23-19-33(31)25-47(57)49(37-17-21-55-45-15-11-35(61-3)27-43(37)45)41-13-14-42(52-51(41)53(59)39-9-7-8-10-40(39)54(52)60)50(48-26-34-20-24-58(48)30-32(34)6-2)38-18-22-56-46-16-12-36(62-4)28-44(38)46/h5-18,21-22,27-28,31-34,47-50H,1-2,19-20,23-26,29-30H2,3-4H3/t31?,32?,33?,34?,47?,48?,49-,50-/m0/s1

InChI Key:

QUIOWIWSMQWLNP-XJVYWJENSA-N

SMILES:

C=CC1CN2CCC1CC2[C@@H](c1ccnc2c1cc(OC)cc2)c1ccc(c2c1C(=O)c1ccccc1C2=O)[C@H](c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C

Complexity:

1540

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

820.399g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

821.034g/mol

Monoisotopic Mass:

820.399g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.8