Chemical ID: 6626388

CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3Cl)Cl
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

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Descriptor Annotations

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