Chemical ID: 4481741

COC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)c3ccc(cc3)C#N
Chemical ID:
4481741
Name [?]:
methyl 4-[2-[4-(4-cyanophenyl)phenoxy]acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C23H18N2O4/c1-28-23(27)19-6-10-20(11-7-19)25-22(26)15-29-21-12-8-18(9-13-21)17-4-2-16(14-24)3-5-17/h2-13H,15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,24,26,23,27,6,10,18,20,7,9,17,21,28,14,25,22,19,5,8,16,12,3,29,11,13,4,2,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCOCOCCCCCCNCOCOCCCCCCCCCCCCCN/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s24;d25;d22s26;s25;t28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.5382
Area:650.536
Solvation:-5.72522
Coulombic:-52.2786
Bond Count [?]
All:31
Single:19
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.4
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.27
LogP (Chemaxon):3.92

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Descriptor Annotations

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