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Chemical ID: 7702603
Chemical ID:
7702603
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C21H25N3O3/c1-3-4-13-27-19-11-7-17(8-12-19)14-23-24-20(25)15-22-21(26)18-9-5-16(2)6-10-18/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,23,25,8,10,22,26,7,11,4,12,17,24,9,21,6,15,19,18,13,14,16,20,5/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCOCCCCCCCNNCOCNCOCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O3 |
All Atoms: | 52 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1453 |
Area: | 658.395 |
Solvation: | -5.31454 |
Coulombic: | -49.1562 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.87 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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