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Chemical ID: 5288447
Chemical ID:
5288447
Name [?]:
None
SMILES [?]:
CCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN5CCOCC5
InChi [?]:
InChI=1/C26H28N2O5/c1-2-32-19-8-5-7-18(17-19)23-22-24(29)20-9-3-4-10-21(20)33-25(22)26(30)28(23)12-6-11-27-13-15-31-16-14-27/h3-5,7-10,17,23H,2,6,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,26,7,5,15,18,27,25,29,33,30,32,9,8,4,14,19,11,10,12,21,22,28,24,13,23,31,3,20/E:(13,14)(15,16)/rA:33cCCOCCCCCCCCCOCCCCCCOCCONCCCNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9494 |
Area: | 685.644 |
Solvation: | -6.1917 |
Coulombic: | -55.4445 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 448.511 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.43 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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