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Chemical ID: 6631585
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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