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Chemical ID: 7669852
Chemical ID:
7669852
Name [?]:
None
SMILES [?]:
CCN1C(=C(C(NC1=O)c2ccccc2)C(=O)OCC)CN3CCC(CC3)C(=O)N
InChi [?]:
InChI=1/C22H30N4O4/c1-3-26-17(14-25-12-10-16(11-13-25)20(23)27)18(21(28)30-4-2)19(24-22(26)29)15-8-6-5-7-9-15/h5-9,16,19H,3-4,10-14H2,1-2H3,(H2,23,27)(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,20,2,19,13,12,14,11,15,24,26,23,27,21,10,25,4,5,6,28,16,8,30,7,22,3,29,17,9,18/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCNCCCNCOCCCCCCCOOCCCNCCCCCCON/rB:s1;s2;s3;d4;s5;s6;s3s7;d8;s6;s10;d11;s12;d13;d10s14;s5;d16;s16;s18;s19;s4;s21;s22;s23;s24;s25;s22s26;s25;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N4O4 |
All Atoms: | 60 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3641 |
Area: | 622.264 |
Solvation: | -4.19251 |
Coulombic: | -79.6744 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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