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Chemical ID: 7079979
Chemical ID:
7079979
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1OCC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCN(C)C)Cl
InChi [?]:
InChI=1/C26H29ClN2O5/c1-5-13-33-20-9-7-16(14-21(20)32-6-2)23-22-24(30)18-15-17(27)8-10-19(18)34-25(22)26(31)29(23)12-11-28(3)4/h7-10,14-15,23H,5-6,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,32,33,2,12,7,21,6,22,30,29,3,9,19,8,20,18,23,5,10,15,14,16,25,26,34,31,28,17,27,11,4,24/E:(3,4)/rA:34cCCCOCCCCCCOCCCCCOCCCCCCOCCONCCNCCCl/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;s31;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29ClN2O5 |
All Atoms: | 63 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5704 |
Area: | 738.391 |
Solvation: | -6.88938 |
Coulombic: | -54.038 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 484.972 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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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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