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Chemical ID: 5711277
Chemical ID:
5711277
Name [?]:
None
SMILES [?]:
CC1CCN(CC1)C(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4
InChi [?]:
InChI=1/C22H27N3O4/c1-15-8-11-24(12-9-15)20(26)14-29-22(28)16-6-7-17-18(13-16)23-19-5-3-2-4-10-25(19)21(17)27/h6-7,13,15H,2-5,8-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,28,26,29,15,16,3,7,25,4,6,19,10,2,14,17,18,21,8,23,12,20,5,22,9,24,13,11/E:(8,9)(11,12)/rA:29nCCCCNCCCOCOCOCCCCCCNCNCOCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s21;s17s22;d23;s22;s25;s26;s27;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5831 |
Area: | 615.673 |
Solvation: | -3.80874 |
Coulombic: | -58.0545 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 397.468 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.39 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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