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Chemical ID: 6631070
Chemical ID:
6631070
Name [?]:
4-chloro-N-[(3-phenoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)CNC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H18ClN3O3/c23-18-11-9-17(10-12-18)22(28)24-15-21(27)26-25-14-16-5-4-8-20(13-16)29-19-6-2-1-3-7-19/h1-14H,15H2,(H,24,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,3,5,9,24,28,25,27,13,14,19,12,23,26,4,8,17,21,29,20,15,16,18,22,7/E:(2,3)(6,7)(9,10)(11,12)/rA:29nCCCCCCOCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;w14;s15;s16;d17;s17;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18ClN3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4638 |
Area: | 656.996 |
Solvation: | -4.96107 |
Coulombic: | -50.2892 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 407.849 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.27 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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