Chemical ID: 6624678

CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)F
Chemical ID:
6624678
Name [?]:
[4-[[2-(4-fluorophenoxy)acetyl]aminoiminomethyl]phenyl] 4-butoxybenzoate
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)F
InChi [?]:
InChI=1/C26H25FN2O5/c1-2-3-16-32-22-12-6-20(7-13-22)26(31)34-24-10-4-19(5-11-24)17-28-29-25(30)18-33-23-14-8-21(27)9-15-23/h4-15,17H,2-3,16,18H2,1H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,19,8,10,30,32,16,20,7,11,29,33,4,21,26,18,9,31,6,28,15,24,12,34,22,23,25,13,5,27,14/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34nCCCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCF/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25FN2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.3344
Area:751.472
Solvation:-8.45245
Coulombic:-56.8567
Bond Count [?]
All:36
Single:24
Double:12
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:464.486
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.6
LogP (Chemaxon):5.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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