Chemical ID: 7258023

c1ccc(cc1)C(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3SCC#N
Chemical ID:
7258023
Name [?]:
2-(4-benzoylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]-acetamide
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3SCC#N
InChi [?]:
InChI=1/C23H18N2O3S/c24-14-15-29-21-9-5-4-8-20(21)25-22(26)16-28-19-12-10-18(11-13-19)23(27)17-6-2-1-3-7-17/h1-13H,15-16H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,3,5,21,24,10,14,11,13,28,27,16,4,9,12,20,25,17,7,29,19,18,8,15,26/E:(2,3)(6,7)(10,11)(12,13)/rA:29nCCCCCCCOCCCCCCOCCONCCCCCCSCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s27;t28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O3S
All Atoms:47
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.5602
Area:654.508
Solvation:-5.80256
Coulombic:-41.7998
Bond Count [?]
All:31
Single:19
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.467
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.2
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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