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Chemical ID: 4653755
Chemical ID:
4653755
Name [?]:
methyl 5-[16-(4-methoxycarbonylbutanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-5-oxo-pentanoate
SMILES [?]:
COC(=O)CCCC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)CCCC(=O)OC
InChi [?]:
InChI=1/C24H42N2O10/c1-31-23(29)7-3-5-21(27)25-9-13-33-17-19-35-15-11-26(12-16-36-20-18-34-14-10-25)22(28)6-4-8-24(30)32-2/h3-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,6,31,7,30,5,32,11,27,18,20,12,26,17,21,14,24,15,23,8,28,3,33,10,19,9,29,4,34,2,35,13,25,16,22/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)(25,26)(27,28)(29,30)(31,32)(33,34,35,36)/rA:36nCOCOCCCCONCCOCCOCCNCCOCCOCCCOCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s10s26;s19;d28;s28;s30;s31;s32;d33;s33;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H42N2O10 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71174 |
Area: | 804.054 |
Solvation: | -11.3896 |
Coulombic: | -96.905 |
Bond Count [?]
All: | 36 |
Single: | 32 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 518.598 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 12 |
XLogP: | -1.38 |
LogP (Chemaxon): | -1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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