Chemical ID: 6631148

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3Cl)Cl
Chemical ID:
6631148
Name [?]:
[4-[2-(2,4-dichlorophenoxy)propanoylaminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C26H24Cl2N2O5/c1-3-14-33-21-11-6-19(7-12-21)26(32)35-22-9-4-18(5-10-22)16-29-30-25(31)17(2)34-24-13-8-20(27)15-23(24)28/h4-13,15-17H,3,14H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,26,2,16,18,7,9,30,15,19,6,10,29,3,32,20,25,17,8,31,5,14,33,28,23,11,35,34,21,22,24,12,4,27,13/E:(4,5)(6,7)(9,10)(11,12)/rA:35cCCCOCCCCCCCOOCCCCCCCNNCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s25;s27;s28;d29;s30;d31;d28s32;s33;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24Cl2N2O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.215
Area:787.416
Solvation:-7.47037
Coulombic:-54.5837
Bond Count [?]
All:37
Single:25
Double:12
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:515.385
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.64
LogP (Chemaxon):6.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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