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Chemical ID: 5682438
Chemical ID:
5682438
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)nc6n(c2=O)CCCCC6
InChi [?]:
InChI=1/C26H31N3O4/c30-23(28-26-12-16-8-17(13-26)10-18(9-16)14-26)15-33-25(32)19-5-6-20-21(11-19)27-22-4-2-1-3-7-29(22)24(20)31/h5-6,11,16-18H,1-4,7-10,12-15H2,(H,28,30)
InChi Info:
AuxInfo=1/1/N:31,32,30,33,1,2,29,17,20,22,5,19,15,23,10,18,16,21,6,3,4,25,11,27,7,14,24,13,26,12,28,8,9/E:(8,9,10)(12,13,14)(16,17,18)/rA:33nCCCCCCCOOCCONCCCCCCCCCCNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;s4;d24;s25;s3s26;d27;s26;s29;s30;s31;s25s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31N3O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6297 |
Area: | 653.421 |
Solvation: | -3.70584 |
Coulombic: | -63.0719 |
Bond Count [?]
All: | 38 |
Single: | 31 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 449.542 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.76 |
LogP (Chemaxon): | 2.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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