Chemical ID: 7328273

CCn1c(nnc1SCC(=O)NCc2ccc(cc2)OC)c3ccc(cc3)Cl
Chemical ID:
7328273
Name [?]:
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)NCc2ccc(cc2)OC)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H21ClN4O2S/c1-3-25-19(15-6-8-16(21)9-7-15)23-24-20(25)28-13-18(26)22-12-14-4-10-17(27-2)11-5-14/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,21,2,15,19,23,27,24,26,16,18,13,9,14,22,25,17,10,4,7,28,12,5,6,3,11,20,8/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCNCNNCSCCONCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s4;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21ClN4O2S
All Atoms:49
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3907
Area:661.806
Solvation:-4.15444
Coulombic:-42.2586
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:416.925
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.63
LogP (Chemaxon):3.52

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Descriptor Annotations

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