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Chemical ID: 6631633
Chemical ID:
6631633
Name [?]:
N-[[2-[(4-fluorophenyl)methoxy]-1-naphthyl]methyleneamino]-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OCc4ccc(cc4)F
InChi [?]:
InChI=1/C29H27FN2O3/c1-20(2)22-9-14-25(15-10-22)34-19-29(33)32-31-17-27-26-6-4-3-5-23(26)11-16-28(27)35-18-21-7-12-24(30)13-8-21/h3-17,20H,18-19H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,3,21,20,22,19,30,34,5,9,24,31,33,6,8,25,16,28,11,2,29,4,23,32,7,18,17,26,12,35,15,14,13,10,27/E:(1,2)(7,8)(9,10)(12,13)(14,15)/rA:35nCCCCCCCCCOCCONNCCCCCCCCCCCOCCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;d17s25;s26;s27;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27FN2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69793 |
Area: | 712.765 |
Solvation: | -8.1212 |
Coulombic: | -39.2032 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 470.535 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 8.13 |
LogP (Chemaxon): | 6.88 |
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
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