Chemical ID: 6631712

COC(=O)c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Cl
Chemical ID:
6631712
Name [?]:
methyl 4-[[2-(2-chlorobenzoyl)aminoacetyl]aminoiminomethyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C18H16ClN3O4/c1-26-18(25)13-8-6-12(7-9-13)10-21-22-16(23)11-20-17(24)14-4-2-3-5-15(14)19/h2-10H,11H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,7,9,6,10,11,16,8,5,20,25,14,18,3,26,17,12,13,15,19,4,2/E:(6,7)(8,9)/rA:26nCOCOCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1353
Area:605.557
Solvation:-5.00359
Coulombic:-60.7836
Bond Count [?]
All:27
Single:17
Double:10
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:373.79
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.72
LogP (Chemaxon):2.23

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