Chemical ID: 4959428

CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)Cl
Chemical ID:
4959428
Name [?]:
ethyl 4-[4-(4-chlorobenzoyl)aminobenzoyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H19ClN2O4/c1-2-30-23(29)17-7-13-20(14-8-17)26-22(28)16-5-11-19(12-6-16)25-21(27)15-3-9-18(24)10-4-15/h3-14H,2H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,25,29,16,20,7,11,26,28,17,19,8,10,24,15,6,27,18,9,22,13,4,30,21,12,23,14,5,3/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCOCOCCCCCCNCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19ClN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.1843
Area:677.706
Solvation:-3.7584
Coulombic:-64.5043
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:422.861
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.94
LogP (Chemaxon):4.57

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Descriptor Annotations

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