Chemical ID: 6631585

c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NC(=O)C(=O)NN=Cc3c(cccc3Cl)Cl
Chemical ID:
6631585
Name [?]:
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(2,6-dichlorophenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NC(=O)C(=O)NN=Cc3c(cccc3Cl)Cl
InChi [?]:
InChI=1/C22H15Cl3N4O3/c23-13-8-10-14(11-9-13)27-20(30)15-4-1-2-7-19(15)28-21(31)22(32)29-26-12-16-17(24)5-3-6-18(16)25/h1-12H,(H,27,30)(H,28,31)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,2,28,6,27,29,3,12,14,11,15,24,13,10,5,25,26,30,4,7,18,20,16,32,31,23,9,17,22,8,19,21/E:(5,6)(8,9)(10,11)(17,18)(24,25)/rA:32nCCCCCCCONCCCCCCClNCOCONNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;d18;s18;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15Cl3N4O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.4998
Area:697.56
Solvation:-3.93924
Coulombic:-67.6706
Bond Count [?]
All:34
Single:21
Double:13
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:489.738
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:6.29
LogP (Chemaxon):5.59

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