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Chemical ID: 6626388
Chemical ID:
6626388
Name [?]:
[4-[[2-(2,3-dichlorophenoxy)acetyl]aminoiminomethyl]phenyl] 4-butoxybenzoate
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C26H24Cl2N2O5/c1-2-3-15-33-20-13-9-19(10-14-20)26(32)35-21-11-7-18(8-12-21)16-29-30-24(31)17-34-23-6-4-5-22(27)25(23)28/h4-14,16H,2-3,15,17H2,1H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,2,3,30,31,29,17,19,8,10,16,20,7,11,4,21,26,18,9,6,15,32,28,24,33,12,35,34,22,23,25,13,5,27,14/E:(7,8)(9,10)(11,12)(13,14)/rA:35nCCCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;w21;s22;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24Cl2N2O5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2059 |
Area: | 804.892 |
Solvation: | -7.91644 |
Coulombic: | -54.316 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 515.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 7.69 |
LogP (Chemaxon): | 6.24 |
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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