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Chemical ID: 6631645
Chemical ID:
6631645
Name [?]:
N'-[2-[(4-bromophenyl)carbamoyl]phenyl]-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Br
InChi [?]:
InChI=1/C23H19BrN4O5/c1-33-20-12-14(6-11-19(20)29)13-25-28-23(32)22(31)27-18-5-3-2-4-17(18)21(30)26-16-9-7-15(24)8-10-16/h2-13,29H,1H3,(H,26,30)(H,27,31)(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,6,29,31,28,32,7,4,10,5,30,27,23,18,8,3,24,15,13,33,11,26,17,12,9,25,16,14,2/E:(7,8)(9,10)/rA:33nCOCCCCCCOCNNCOCONCCCCCCCONCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19BrN4O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9694 |
Area: | 697.371 |
Solvation: | -6.46491 |
Coulombic: | -88.6951 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 511.325 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 9 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.29 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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