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Chemical ID: 5580501
Chemical ID:
5580501
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)COC(=O)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC
InChi [?]:
InChI=1/C26H34N2O7/c1-6-9-10-18-11-13-19(14-12-18)28-20(29)15-35-26(32)23-21(24(30)33-7-2)16(4)27-17(5)22(23)25(31)34-8-3/h11-14,23,27H,6-10,15H2,1-5H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,28,35,29,30,2,27,34,3,4,6,10,7,9,14,22,20,5,8,12,23,19,18,24,31,16,21,11,13,25,32,17,26,33,15/E:(2,3)(4,5)(7,8)(11,12)(13,14)(16,17)(21,22)(24,25)(30,31)(33,34)/rA:35nCCCCCCCCCCNCOCOCOCCCNCCCOOCCCCCOOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;s21;s18d22;s23;d24;s24;s26;s27;s22;s20;s19;d31;s31;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34N2O7 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6068 |
Area: | 748.629 |
Solvation: | -5.10888 |
Coulombic: | -87.4296 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 486.557 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 4.1 |
LogP (Chemaxon): | 1.53 |
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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