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Chemical ID: 4812643
Chemical ID:
4812643
Name [?]:
dibutyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate
SMILES [?]:
CCCCOC(=O)N1CCOCCN(CCOCCOCC1)C(=O)OCCCC
InChi [?]:
InChI=1/C20H38N2O7/c1-3-5-11-28-19(23)21-7-13-25-14-8-22(20(24)29-12-6-4-2)10-16-27-18-17-26-15-9-21/h3-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,28,3,27,9,13,22,15,4,26,10,12,21,16,19,18,6,23,8,14,7,24,11,20,17,5,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(26,27)(28,29)/rA:29nCCCCOCONCCOCCNCCOCCOCCCOOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s8s21;s14;d23;s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H38N2O7 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2457 |
Area: | 666.654 |
Solvation: | -5.4207 |
Coulombic: | -85.1572 |
Bond Count [?]
All: | 29 |
Single: | 27 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 418.525 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 9 |
XLogP: | 1.76 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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