Chemical ID: 6496178

Cc1ccccc1N(CC(=O)NN=Cc2cccc(c2)Oc3ccccc3)C(=O)c4ccccc4
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue