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Chemical ID: 6496178
Chemical ID:
6496178
Name [?]:
N-(o-tolyl)-N-[(3-phenoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
Cc1ccccc1N(CC(=O)NN=Cc2cccc(c2)Oc3ccccc3)C(=O)c4ccccc4
InChi [?]:
InChI=1/C29H25N3O3/c1-22-11-8-9-18-27(22)32(29(34)24-13-4-2-5-14-24)21-28(33)31-30-20-23-12-10-17-26(19-23)35-25-15-6-3-7-16-25/h2-20H,21H2,1H3,(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,33,25,32,34,24,26,4,5,17,3,16,31,35,23,27,18,6,20,14,9,2,15,30,22,19,7,10,28,13,12,8,11,29,21/E:(4,5)(6,7)(13,14)(15,16)/rA:35nCCCCCCCNCCONNCCCCCCCOCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;d23;s24;d25;d22s26;s8;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H25N3O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2278 |
Area: | 694.619 |
Solvation: | -5.13764 |
Coulombic: | -46.9666 |
Bond Count [?]
All: | 38 |
Single: | 23 |
Double: | 15 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 463.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.58 |
LogP (Chemaxon): | 5.99 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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