Chemical ID: 4158667

Cc1ccc(cc1)NC(=O)c2ccc(cc2)OC(=O)COc3cc(ccc3C)C
Chemical ID:
4158667
Name [?]:
[4-(p-tolylcarbamoyl)phenyl] 2-(2,5-dimethylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccc(cc2)OC(=O)COc3cc(ccc3C)C
InChi [?]:
InChI=1/C24H23NO4/c1-16-5-10-20(11-6-16)25-24(27)19-8-12-21(13-9-19)29-23(26)15-28-22-14-17(2)4-7-18(22)3/h4-14H,15H2,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,29,28,25,3,7,26,12,16,4,6,13,15,23,20,2,24,27,11,5,14,22,18,9,8,19,10,21,17/E:(5,6)(8,9)(10,11)(12,13)/rA:29nCCCCCCCNCOCCCCCCOCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23NO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7466
Area:647.754
Solvation:-4.44727
Coulombic:-49.4319
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.444
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.01
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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