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Chemical ID: 6455433
Chemical ID:
6455433
Name [?]:
N-[[2-[(3-bromophenyl)methoxy]-1-naphthyl]methyleneamino]-2-(5-isopropyl-2-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1OCC(=O)NN=Cc2c3ccccc3ccc2OCc4cccc(c4)Br)C(C)C
InChi [?]:
InChI=1/C30H29BrN2O3/c1-20(2)24-12-11-21(3)29(16-24)36-19-30(34)33-32-17-27-26-10-5-4-8-23(26)13-14-28(27)35-18-22-7-6-9-25(31)15-22/h4-17,20H,18-19H2,1-3H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:35,36,1,19,18,29,28,20,30,17,3,4,22,23,32,6,14,26,9,34,2,27,21,5,31,16,15,24,7,10,33,13,12,11,25,8/E:(1,2)/rA:36nCCCCCCCOCCONNCCCCCCCCCCCOCCCCCCCBrCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;d15s23;s24;s25;s26;s27;d28;s29;d30;d27s31;s31;s5;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H29BrN2O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7143 |
Area: | 753.242 |
Solvation: | -7.11678 |
Coulombic: | -36.0542 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 545.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 9.0 |
LogP (Chemaxon): | 8.0 |
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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