Chemical ID: 4136710

COc1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)C=NNC(=O)c3cccc4c3cccc4
Chemical ID:
4136710
Name [?]:
[2-methoxy-4-(1-naphthylcarbonylaminoiminomethyl)phenyl] 2,4-dichlorobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)C=NNC(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C26H18Cl2N2O4/c1-33-24-13-16(9-12-23(24)34-26(32)21-11-10-18(27)14-22(21)28)15-29-30-25(31)20-8-4-6-17-5-2-3-7-19(17)20/h2-15H,1H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,33,32,27,34,28,31,26,6,14,13,7,4,16,20,5,29,15,30,25,12,17,8,3,23,10,19,18,21,22,24,11,2,9/rA:34nCOCCCCCCOCOCCCCCCClClCNNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s15;s5;w20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H18Cl2N2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.4354
Area:705.824
Solvation:-5.21016
Coulombic:-49.3874
Bond Count [?]
All:37
Single:23
Double:14
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:493.338
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.65
LogP (Chemaxon):6.26

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Descriptor Annotations

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