Chemical ID: 6445455

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)NC(=O)c4ccccc4
Chemical ID:
6445455
Name [?]:
[4-[(4-benzamidobenzoyl)aminoiminomethyl]-2-ethoxy-phenyl] benzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)NC(=O)c4ccccc4
InChi [?]:
InChI=1/C30H25N3O5/c1-2-37-27-19-21(13-18-26(27)38-30(36)24-11-7-4-8-12-24)20-31-33-29(35)23-14-16-25(17-15-23)32-28(34)22-9-5-3-6-10-22/h3-20H,2H2,1H3,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,2,36,16,35,37,15,17,34,38,14,18,7,25,29,26,28,8,5,19,6,33,24,13,27,9,4,31,22,11,20,30,21,32,23,12,3,10/E:(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:38nCCOCCCCCCOCOCCCCCCCNNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s6;w19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;d31;s31;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H25N3O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:13.4313
Area:781.005
Solvation:-6.09386
Coulombic:-70.9444
Bond Count [?]
All:41
Single:25
Double:16
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:507.537
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:6.54
LogP (Chemaxon):5.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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