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Chemical ID: 7340197
Chemical ID:
7340197
Name [?]:
N-(4-phenoxyphenyl)-2-(4-phenoxyphenyl)amino-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)Oc2ccccc2)Nc3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C27H24N2O3/c1-20(28-21-12-16-25(17-13-21)31-23-8-4-2-5-9-23)27(30)29-22-14-18-26(19-15-22)32-24-10-6-3-7-11-24/h2-20,28H,1H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,30,16,29,31,15,17,28,32,14,18,21,25,7,11,22,24,8,10,2,20,6,27,13,23,9,3,19,5,4,26,12/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:32cCCCONCCCCCCOCCCCCCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s15;d16;d13s17;s2;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6372 |
Area: | 676.505 |
Solvation: | -4.27537 |
Coulombic: | -50.9494 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 424.491 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.89 |
LogP (Chemaxon): | 6.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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