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19626-08-5 | 6-METHOXY-8-((6-METHOXY-1,2-DIMETHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)OXY)-1,2-DIMETHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINOL
CAS No: 19626-08-5 Catalog No: AG0073VQ MDL No:
Product Description
Catalog Number:
AG0073VQ
Chemical Name:
6-METHOXY-8-((6-METHOXY-1,2-DIMETHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)OXY)-1,2-DIMETHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINOL
CAS Number:
19626-08-5
Molecular Formula:
C24H32N2O4
Molecular Weight:
412.5219
IUPAC Name:
6-methoxy-8-[(6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C24H32N2O4/c1-14-18-13-20(19(28-5)11-16(18)7-9-25(14)3)30-24-22-15(2)26(4)10-8-17(22)12-21(29-6)23(24)27/h11-15,27H,7-10H2,1-6H3
InChI Key:
PWFLHIQSZMYWPN-UHFFFAOYSA-N
SMILES:
COc1cc2CCN(C(c2cc1Oc1c(O)c(OC)cc2c1C(C)N(CC2)C)C)C
NSC Number:
131706
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.236g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.53g/mol
Monoisotopic Mass:
412.236g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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