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Chemical ID: 7080244
Chemical ID:
7080244
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1OCC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)C
InChi [?]:
InChI=1/C26H29NO6/c1-5-12-32-20-10-8-17(15-21(20)31-6-2)23-22-24(28)18-14-16(3)7-9-19(18)33-25(22)26(29)27(23)11-13-30-4/h7-10,14-15,23H,5-6,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,33,32,2,12,21,7,22,6,29,3,30,19,9,20,8,18,23,5,10,15,14,16,25,26,28,17,27,31,11,4,24/rA:33cCCCOCCCCCCOCCCCCOCCCCCCOCCONCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;s31;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29NO6 |
All Atoms: | 62 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2867 |
Area: | 698.943 |
Solvation: | -7.18688 |
Coulombic: | -57.4314 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 451.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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