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Chemical ID: 7028584
Chemical ID:
7028584
Name [?]:
ethyl 4-[[5-(2,4-dichlorophenyl)-2-furyl]carbonylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H15Cl2NO4/c1-2-26-20(25)12-3-6-14(7-4-12)23-19(24)18-10-9-17(27-18)15-8-5-13(21)11-16(15)22/h3-11H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,11,22,8,10,21,17,16,24,6,23,9,20,25,18,15,13,4,27,26,12,14,5,3,19/E:(3,4)(6,7)/rA:27nCCOCOCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15Cl2NO4 |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6455 |
Area: | 631.341 |
Solvation: | -3.13807 |
Coulombic: | -52.2071 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 404.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.25 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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