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Chemical ID: 7670189
Chemical ID:
7670189
Name [?]:
None
SMILES [?]:
CCN(CC)CC1=C(C(NC(=O)N1)c2ccc(c(c2)COC)OC)C(=O)OCC
InChi [?]:
InChI=1/C21H31N3O5/c1-6-24(7-2)12-16-18(20(25)29-8-3)19(23-21(26)22-16)14-9-10-17(28-5)15(11-14)13-27-4/h9-11,19H,6-8,12-13H2,1-5H3,(H2,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,29,22,24,2,4,28,15,16,19,6,20,14,18,7,17,8,9,25,11,13,10,3,26,12,21,23,27/E:(1,2)(6,7)/rA:29cCCNCCCCCCNCONCCCCCCCOCOCCOOCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;d11;s7s11;s9;s14;d15;s16;d17;d14s18;s18;s20;s21;s17;s23;s8;d25;s25;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H31N3O5 |
All Atoms: | 60 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0371 |
Area: | 596.789 |
Solvation: | -4.88259 |
Coulombic: | -74.2371 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.33 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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