Chemical ID: 6647294

COC(=O)c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
Chemical ID:
6647294
Name [?]:
methyl 4-[[2-(4-chlorobenzoyl)aminoacetyl]aminoiminomethyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H16ClN3O4/c1-26-18(25)14-4-2-12(3-5-14)10-21-22-16(23)11-20-17(24)13-6-8-15(19)9-7-13/h2-10H,11H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,21,25,22,24,11,16,8,20,5,23,14,18,3,26,17,12,13,15,19,4,2/E:(2,3)(4,5)(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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6273
Area:618.636
Solvation:-4.8386
Coulombic:-61.0998
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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