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Chemical ID: 5262264
Chemical ID:
5262264
Name [?]:
5-(4,5-dimethoxy-2-methyl-1-naphthyl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILES [?]:
Cc1cc(c2c(c1c3c(cc(c4c3CC(NC4C)C)OC)O)cccc2OC)OC
InChi [?]:
InChI=1/C25H29NO4/c1-13-10-20(29-5)25-16(8-7-9-19(25)28-4)22(13)24-17-11-14(2)26-15(3)23(17)21(30-6)12-18(24)27/h7-10,12,14-15,26-27H,11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,19,18,28,30,21,24,23,25,3,14,10,2,15,17,6,13,9,26,4,11,7,12,8,5,16,22,27,29,20/rA:30cCCCCCCCCCCCCCCCNCCCOCOCCCCOCOC/rB:s1;s2;d3;s4;s5;d2s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s12s16;s17;s15;s11;s20;s9;d6;s23;d24;d5s25;s26;s27;s4;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.26417 |
Area: | 596.757 |
Solvation: | -6.65477 |
Coulombic: | -45.8083 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.502 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.35 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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