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Chemical ID: 6631135
Chemical ID:
6631135
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-(3-chloro-4-methyl-phenyl)-oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(c(c2)Cl)C
InChi [?]:
InChI=1/C20H22ClN3O3/c1-3-4-11-27-17-9-6-15(7-10-17)13-22-24-20(26)19(25)23-16-8-5-14(2)18(21)12-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,22,8,10,21,7,11,4,25,12,23,9,20,6,24,17,15,26,13,19,14,18,16,5/E:(6,7)(9,10)/rA:27nCCCCOCCCCCCCNNCOCONCCCCCCClC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22ClN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1181 |
Area: | 639.961 |
Solvation: | -3.88093 |
Coulombic: | -53.0575 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 387.86 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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