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Chemical ID: 7704408
Chemical ID:
7704408
Name [?]:
None
SMILES [?]:
CCc1ccccc1NC(=O)COc2ccccc2C(=O)Nc3c(cccc3C)C
InChi [?]:
InChI=1/C25H26N2O3/c1-4-19-12-5-7-14-21(19)26-23(28)16-30-22-15-8-6-13-20(22)25(29)27-24-17(2)10-9-11-18(24)3/h5-15H,4,16H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,30,2,5,17,6,16,26,27,25,4,18,7,15,12,28,24,3,19,8,14,10,23,20,9,22,11,21,13/E:(2,3)(10,11)(17,18)/rA:30nCCCCCCCCNCOCOCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.76428 |
Area: | 643.593 |
Solvation: | -6.32554 |
Coulombic: | -49.32 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.79 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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