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Chemical ID: 6632156
Chemical ID:
6632156
Name [?]:
N'-[2-[(4-bromophenyl)carbamoyl]phenyl]-N-[(2-chlorophenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Br)Cl
InChi [?]:
InChI=1/C22H16BrClN4O3/c23-15-9-11-16(12-10-15)26-20(29)17-6-2-4-8-19(17)27-21(30)22(31)28-25-13-14-5-1-3-7-18(14)24/h1-13H,(H,26,29)(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,6,19,3,16,26,28,25,29,7,5,27,24,20,4,15,21,12,10,30,31,8,23,14,9,22,13,11/E:(9,10)(11,12)/rA:31nCCCCCCCNNCOCONCCCCCCCONCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16BrClN4O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3131 |
Area: | 676.265 |
Solvation: | -3.59358 |
Coulombic: | -67.7163 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 499.744 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 5.85 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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