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Chemical ID: 7706410
Chemical ID:
7706410
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OCC)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C28H31ClN2O4/c1-3-5-6-21-9-14-25(15-10-21)34-20-28(32)31-30-18-23-11-16-26(27(17-23)33-4-2)35-19-22-7-12-24(29)13-8-22/h7-18H,3-6,19-20H2,1-2H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,26,2,25,3,4,30,34,6,10,19,31,33,7,9,20,23,17,28,12,5,29,18,32,8,21,22,13,35,16,15,14,24,11,27/E:(7,8)(9,10)(12,13)(14,15)/rA:35nCCCCCCCCCCOCCONNCCCCCCCOCCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s21;s27;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H31ClN2O4 |
All Atoms: | 66 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5134 |
Area: | 826.318 |
Solvation: | -9.1445 |
Coulombic: | -42.5144 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 14 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.03 |
LogP (Chemaxon): | None |
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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