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Chemical ID: 6652034
Chemical ID:
6652034
Name [?]:
3-chloro-N-[(3-phenoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)CNC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C22H18ClN3O3/c23-18-8-5-7-17(13-18)22(28)24-15-21(27)26-25-14-16-6-4-11-20(12-16)29-19-9-2-1-3-10-19/h1-14H,15H2,(H,24,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,25,11,24,26,3,5,9,13,28,14,19,12,23,27,4,8,17,21,29,20,15,16,18,22,7/E:(2,3)(9,10)/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18ClN3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.496 |
Area: | 656.855 |
Solvation: | -4.92538 |
Coulombic: | -50.2466 |
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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