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Chemical ID: 6632767
Chemical ID:
6632767
Name [?]:
4-butoxy-N-[(1-methyl-3-phenyl-prop-2-enylidene)aminocarbamoylmethyl]benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=C(C)C=Cc2ccccc2
InChi [?]:
InChI=1/C23H27N3O3/c1-3-4-16-29-21-14-12-20(13-15-21)23(28)24-17-22(27)26-25-18(2)10-11-19-8-6-5-7-9-19/h5-15H,3-4,16-17H2,1-2H3,(H,24,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,27,26,28,25,29,22,23,8,10,7,11,4,15,20,24,9,6,16,12,14,19,18,17,13,5/E:(6,7)(8,9)(12,13)(14,15)/rA:29nCCCCOCCCCCCCONCCONNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;w19;s20;s20;w22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9445 |
Area: | 647.309 |
Solvation: | -5.23823 |
Coulombic: | -48.7996 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 393.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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