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Chemical ID: 6882862
Chemical ID:
6882862
Name [?]:
4-[(3,4-dichlorophenyl)carbamoylmethoxy]-N-(4-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O4/c1-29-17-9-4-15(5-10-17)26-22(28)14-2-7-18(8-3-14)30-13-21(27)25-16-6-11-19(23)20(24)12-16/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,13,17,5,7,24,14,16,4,8,25,28,19,12,6,23,3,15,26,27,20,10,30,29,22,9,21,11,2,18/E:(2,3)(4,5)(7,8)(9,10)/rA:30nCOCCCCCCNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl2N2O4 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4093 |
Area: | 681.495 |
Solvation: | -6.62808 |
Coulombic: | -56.8584 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 445.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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