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Chemical ID: 7701516
Chemical ID:
7701516
Name [?]:
None
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2cccc(c2)NC(=O)COc3c(cccc3C)C)C
InChi [?]:
InChI=1/C26H28N2O4/c1-17-8-5-9-18(2)25(17)31-15-23(29)27-21-12-7-13-22(14-21)28-24(30)16-32-26-19(3)10-6-11-20(26)4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,32,30,31,4,27,15,3,5,28,26,14,16,18,9,22,2,6,29,25,13,17,10,20,7,24,12,19,11,21,8,23/E:(1,2,3,4)(5,6)(8,9,10,11)(12,13)(15,16)(17,18,19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:32nCCCCCCCOCCONCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s29;s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O4 |
All Atoms: | 60 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6708 |
Area: | 699.664 |
Solvation: | -6.82075 |
Coulombic: | -57.0953 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.23 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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