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Chemical ID: 6631825
Chemical ID:
6631825
Name [?]:
N'-[2-[(4-bromophenyl)carbamoyl]phenyl]-N-[(3-methoxyphenyl)methyleneamino]oxamide
SMILES [?]:
COc1cccc(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Br
InChi [?]:
InChI=1/C23H19BrN4O4/c1-32-18-6-4-5-15(13-18)14-25-28-23(31)22(30)27-20-8-3-2-7-19(20)21(29)26-17-11-9-16(24)10-12-17/h2-14H,1H3,(H,26,29)(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,20,19,5,6,4,21,18,28,30,27,31,8,9,7,29,26,3,22,17,23,14,12,32,10,25,16,11,24,15,13,2/E:(9,10)(11,12)/rA:32nCOCCCCCCCNNCOCONCCCCCCCONCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19BrN4O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9578 |
Area: | 681.012 |
Solvation: | -5.06751 |
Coulombic: | -73.5742 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 495.326 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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