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96733-88-9 | 6-METHOXY-2-PHENYL-1-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 96733-88-9 Catalog No: AG005SU2 MDL No:
Product Description
Catalog Number:
AG005SU2
Chemical Name:
6-METHOXY-2-PHENYL-1-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
96733-88-9
Molecular Formula:
C28H32N2O2
Molecular Weight:
428.5659
IUPAC Name:
6-methoxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C28H32N2O2/c1-31-26-13-14-27-23(21-26)15-18-30(24-7-3-2-4-8-24)28(27)22-9-11-25(12-10-22)32-20-19-29-16-5-6-17-29/h2-4,7-14,21,28H,5-6,15-20H2,1H3
InChI Key:
AVXOIXIAWBSTIZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCN(C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.246g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.576g/mol
Monoisotopic Mass:
428.246g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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