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Chemical ID: 6416197
Chemical ID:
6416197
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-(2,5-dimethylphenyl)-oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2cc(ccc2C)C
InChi [?]:
InChI=1/C21H25N3O3/c1-4-5-12-27-18-10-8-17(9-11-18)14-22-24-21(26)20(25)23-19-13-15(2)6-7-16(19)3/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,26,2,3,23,24,8,10,7,11,4,21,12,22,25,9,6,20,17,15,13,19,14,18,16,5/E:(8,9)(10,11)/rA:27nCCCCOCCCCCCCNNCOCONCCCCCCCC/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;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9188 |
Area: | 630.487 |
Solvation: | -3.84339 |
Coulombic: | -52.8193 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 367.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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