Chemical ID: 6896838

Cc1ccc(cc1Cl)NC(=O)COc2c(=O)c3ccccc3oc2c4ccco4
Chemical ID:
6896838
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2c(=O)c3ccccc3oc2c4ccco4
InChi [?]:
InChI=1/C22H16ClNO5/c1-13-8-9-14(11-16(13)23)24-19(25)12-28-22-20(26)15-5-2-3-6-17(15)29-21(22)18-7-4-10-27-18/h2-11H,12H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,19,20,27,18,21,26,3,4,28,6,12,2,5,17,7,22,25,10,15,24,14,8,9,11,16,29,13,23/rA:29nCCCCCCCClNCOCOCCOCCCCCCOCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClNO5
All Atoms:45
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.50958
Area:611.24
Solvation:-5.77142
Coulombic:-53.5158
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:409.819
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.16
LogP (Chemaxon):4.38

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Descriptor Annotations

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