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Chemical ID: 6628658
Chemical ID:
6628658
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H27ClN2O4/c1-18(2)21-7-11-23(12-8-21)32-17-26(30)29-28-15-20-6-13-24(25(14-20)31-3)33-16-19-4-9-22(27)10-5-19/h4-15,18H,16-17H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,3,24,28,32,18,5,9,29,31,6,8,19,22,16,26,11,2,27,17,4,30,7,20,21,12,33,15,14,13,23,10,25/E:(1,2)(4,5)(7,8)(9,10)(11,12)/rA:33nCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27ClN2O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58391 |
Area: | 754.293 |
Solvation: | -9.27341 |
Coulombic: | -41.6175 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 466.956 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.97 |
LogP (Chemaxon): | 6.0 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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