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Chemical ID: 6650526
Chemical ID:
6650526
Name [?]:
N-[(3-allyloxyphenyl)methyleneaminocarbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)OCC=C
InChi [?]:
InChI=1/C20H21N3O3/c1-3-10-26-18-9-5-7-16(12-18)13-22-23-19(24)14-21-20(25)17-8-4-6-15(2)11-17/h3-9,11-13H,1,10,14H2,2H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:26,1,25,4,19,3,18,5,20,24,7,22,16,11,2,17,6,21,12,8,10,15,14,13,9,23/rA:26nCCCCCCCCONCCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.177 |
Area: | 613.129 |
Solvation: | -5.15121 |
Coulombic: | -50.2204 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 351.399 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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