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Chemical ID: 4494361
Chemical ID:
4494361
Name [?]:
N-[5-[2-(4-chlorophenoxy)acetyl]amino-2-methoxy-phenyl]furan-2-carboxamide
SMILES [?]:
COc1ccc(cc1NC(=O)c2ccco2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H17ClN2O5/c1-26-17-9-6-14(11-16(17)23-20(25)18-3-2-10-27-18)22-19(24)12-28-15-7-4-13(21)5-8-15/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,14,13,24,26,5,23,27,4,15,7,20,25,6,22,8,3,12,18,10,28,17,9,19,11,2,16,21/E:(4,5)(7,8)/rA:28nCOCCCCCCNCOCCCCONCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s6;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClN2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3532 |
Area: | 633.019 |
Solvation: | -6.47227 |
Coulombic: | -65.0936 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 400.812 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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