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Chemical ID: 7702559
Chemical ID:
7702559
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc(cc2)OCCC
InChi [?]:
InChI=1/C23H29N3O4/c1-3-5-15-30-20-10-6-18(7-11-20)16-25-26-22(27)17-24-23(28)19-8-12-21(13-9-19)29-14-4-2/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,24,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,30,2,29,3,8,10,22,26,7,11,23,25,28,4,12,17,9,21,6,24,15,19,18,13,14,16,20,27,5/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCOCCCCCCCNNCOCNCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O4 |
All Atoms: | 59 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5685 |
Area: | 726.302 |
Solvation: | -6.589 |
Coulombic: | -56.1009 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 14 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.13 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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