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Chemical ID: 7696173
Chemical ID:
7696173
Name [?]:
None
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2c(cccc2C(C)C)C(C)C
InChi [?]:
InChI=1/C21H27NO2/c1-14(2)17-10-8-11-18(15(3)4)21(17)22-20(23)13-24-19-12-7-6-9-16(19)5/h6-12,14-15H,13H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:20,21,23,24,1,4,5,16,3,17,15,6,9,19,22,2,18,14,7,10,13,12,11,8/E:(1,2,3,4)(10,11)(14,15)(17,18)/rA:24nCCCCCCCOCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s14;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO2 |
All Atoms: | 51 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.98557 |
Area: | 556.078 |
Solvation: | -3.91639 |
Coulombic: | -30.3012 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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