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Chemical ID: 5603128
Chemical ID:
5603128
Name [?]:
N-[5-[(4-methoxyphenyl)methyleneaminocarbamoyl]pentyl]benzamide
SMILES [?]:
COc1ccc(cc1)C=NNC(=O)CCCCCNC(=O)c2ccccc2
InChi [?]:
InChI=1/C21H25N3O3/c1-27-19-13-11-17(12-14-19)16-23-24-20(25)10-6-3-7-15-22-21(26)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,16,24,26,15,17,23,27,14,5,7,4,8,18,9,6,22,3,12,20,19,10,11,13,21,2/E:(4,5)(8,9)(11,12)(13,14)/rA:27nCOCCCCCCCNNCOCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5096 |
Area: | 651.219 |
Solvation: | -5.77086 |
Coulombic: | -48.1952 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 367.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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