Chemical ID: 6624825

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)c4ccccc4
Chemical ID:
6624825
Name [?]:
[4-[[2-(4-phenylphenoxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C31H28N2O5/c1-2-20-36-27-18-12-26(13-19-27)31(35)38-29-14-8-23(9-15-29)21-32-33-30(34)22-37-28-16-10-25(11-17-28)24-6-4-3-5-7-24/h3-19,21H,2,20,22H2,1H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,2,36,35,37,34,38,16,18,29,31,7,9,15,19,28,32,6,10,3,20,25,17,33,30,8,5,27,14,23,11,21,22,24,12,4,26,13/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:38nCCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCCCCCCC/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;s26;s27;d28;s29;d30;d27s31;s30;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H28N2O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:12.7486
Area:823.428
Solvation:-7.83712
Coulombic:-55.4128
Bond Count [?]
All:41
Single:26
Double:15
Rotors:13
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:508.565
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.81
LogP (Chemaxon):6.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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