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Chemical ID: 7028583
Chemical ID:
7028583
Name [?]:
methyl 2-[[5-(2,4-dichlorophenyl)-2-furyl]carbonylamino]benzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H13Cl2NO4/c1-25-19(24)13-4-2-3-5-15(13)22-18(23)17-9-8-16(26-17)12-7-6-11(20)10-14(12)21/h2-10H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,21,20,16,15,23,22,19,5,24,10,17,14,12,3,26,25,11,13,4,2,18/rA:26nCOCOCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13Cl2NO4 |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6471 |
Area: | 589.093 |
Solvation: | -3.08024 |
Coulombic: | -52.2612 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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