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Chemical ID: 5706813
Chemical ID:
5706813
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2C3=C(CC(CC3=Nc4ccccc4N2)(C)C)O
InChi [?]:
InChI=1/C25H30N2O2/c1-4-5-13-29-18-10-8-9-17(14-18)24-23-21(15-25(2,3)16-22(23)28)26-19-11-6-7-12-20(19)27-24/h6-12,14,24,27-28H,4-5,13,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,3,22,23,8,9,7,21,24,4,11,17,15,10,6,20,25,18,14,13,12,16,19,26,29,5/E:(2,3)/rA:29cCCCCOCCCCCCCCCCCCCNCCCCCCNCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s14;s15;s16;s13s17;d18;s19;s20;d21;s22;d23;d20s24;s12s25;s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7499 |
Area: | 609.947 |
Solvation: | -3.49877 |
Coulombic: | -42.8587 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.518 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.01 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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