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Chemical ID: 7343289
Chemical ID:
7343289
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)C(C3(N2CC(=O)N3)C=Cc4cccc(c4)OC)(C)C
InChi [?]:
InChI=1/C22H24N2O2/c1-15-8-9-19-18(12-15)21(2,3)22(23-20(25)14-24(19)22)11-10-16-6-5-7-17(13-16)26-4/h5-13H,14H2,1-4H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,24,19,18,20,3,4,16,15,7,22,11,2,17,21,6,5,12,8,9,14,10,13,23/E:(2,3)/rA:26cCCCCCCCCCNCCONCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5s9;s10;s11;d12;s9s12;s9;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s8;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O2 |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.20686 |
Area: | 509.418 |
Solvation: | -3.5286 |
Coulombic: | -38.032 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.12 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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