Chemical ID: 6632156

c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Br)Cl
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

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