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Chemical ID: 6410469
Chemical ID:
6410469
Name [?]:
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methyleneamino]-2-(2-naphthyloxy)acetamide
SMILES [?]:
COc1cccc(c1)COc2ccccc2C=NNC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C27H24N2O4/c1-31-24-11-6-7-20(15-24)18-33-26-12-5-4-10-23(26)17-28-29-27(30)19-32-25-14-13-21-8-2-3-9-22(21)16-25/h2-17H,18-19H2,1H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,29,30,14,13,5,6,28,31,15,4,12,26,25,8,33,17,9,22,7,27,32,16,3,24,11,20,18,19,21,2,23,10/rA:33nCOCCCCCCCOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;w17;s18;s19;d20;s20;s22;s23;s24;d25;s26;s27;d28;s29;d30;d27s31;d24s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24N2O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58545 |
Area: | 712.418 |
Solvation: | -8.225 |
Coulombic: | -42.7302 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 440.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.48 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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