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Chemical ID: 7486347
Chemical ID:
7486347
Name [?]:
N-[(4-benzyloxyphenyl)methyleneamino]-2-(2-naphthyloxy)propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C27H24N2O3/c1-20(32-26-16-13-23-9-5-6-10-24(23)17-26)27(30)29-28-18-21-11-14-25(15-12-21)31-19-22-7-3-2-4-8-22/h2-18,20H,19H2,1H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,28,29,17,21,27,30,9,13,25,10,12,24,32,7,15,2,8,16,26,31,11,23,3,6,5,4,14,22/E:(3,4)(7,8)(11,12)(14,15)/rA:32cCCCONNCCCCCCCOCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s2;s22;s23;d24;s25;s26;d27;s28;d29;d26s30;d23s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7156 |
Area: | 694.19 |
Solvation: | -6.63914 |
Coulombic: | -37.1918 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 424.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 7.09 |
LogP (Chemaxon): | 6.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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