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Chemical ID: 7696249
Chemical ID:
7696249
Name [?]:
None
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2c(cccc2C(C)C)C(C)C)C
InChi [?]:
InChI=1/C22H29NO2/c1-14(2)18-11-8-12-19(15(3)4)21(18)23-20(24)13-25-22-16(5)9-7-10-17(22)6/h7-12,14-15H,13H2,1-6H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:20,21,23,24,1,25,4,16,3,5,17,15,9,19,22,2,6,18,14,10,13,7,12,11,8/E:(1,2,3,4)(5,6)(9,10)(11,12)(14,15)(16,17)(18,19)/rA:25nCCCCCCCOCCONCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s14;s22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO2 |
All Atoms: | 54 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5872 |
Area: | 570.879 |
Solvation: | -3.68481 |
Coulombic: | -30.6844 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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