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Chemical ID: 7707302
Chemical ID:
7707302
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)COc2cccc3c2cccc3
InChi [?]:
InChI=1/C21H21NO2/c1-15(2)16-10-12-18(13-11-16)22-21(23)14-24-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,17,24,18,21,16,5,9,6,8,13,2,4,19,7,20,15,11,10,12,14/E:(1,2)(10,11)(12,13)/rA:24nCCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO2 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.58618 |
Area: | 545.059 |
Solvation: | -4.0403 |
Coulombic: | -30.9094 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.35 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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