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Chemical ID: 6632119
Chemical ID:
6632119
Name [?]:
4-butoxy-N-[(2,4-dihydroxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O
InChi [?]:
InChI=1/C20H23N3O5/c1-2-3-10-28-17-8-5-14(6-9-17)20(27)21-13-19(26)23-22-12-15-4-7-16(24)11-18(15)25/h4-9,11-12,24-25H,2-3,10,13H2,1H3,(H,21,27)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,22,8,10,23,7,11,4,25,20,15,9,21,24,6,26,16,12,14,19,18,28,27,17,13,5/E:(5,6)(8,9)/rA:28nCCCCOCCCCCCCONCCONNCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49653 |
Area: | 653.354 |
Solvation: | -6.83732 |
Coulombic: | -79.3437 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 385.414 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 3.62 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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