Chemical ID: 6626112

c1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccc(cc3)OC(=O)c4ccc(cc4Cl)Cl
Chemical ID:
6626112
Name [?]:
[4-[(4-benzyloxybenzoyl)aminoiminomethyl]phenyl] 2,4-dichlorobenzoate
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccc(cc3)OC(=O)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C28H20Cl2N2O4/c29-22-10-15-25(26(30)16-22)28(34)36-24-11-6-19(7-12-24)17-31-32-27(33)21-8-13-23(14-9-21)35-18-20-4-2-1-3-5-20/h1-17H,18H2,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,25,11,13,31,22,24,10,14,30,33,19,7,20,4,12,32,9,23,29,34,15,27,36,35,18,17,16,28,8,26/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/rA:36nCCCCCCCOCCCCCCCONNCCCCCCCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;s29;d30;s31;d32;d29s33;s34;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H20Cl2N2O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.8474
Area:781.671
Solvation:-5.69441
Coulombic:-49.3713
Bond Count [?]
All:39
Single:24
Double:15
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:519.375
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:8.36
LogP (Chemaxon):7.03

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Descriptor Annotations

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