Chemical ID: 5303898

CCn1c(nnc1SCC(=O)Nc2ccc(cc2OC)OC)c3cccc(c3)OC
Chemical ID:
5303898
Name [?]:
N-(2,4-dimethoxyphenyl)-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2OC)OC)c3cccc(c3)OC
InChi [?]:
InChI=1/C21H24N4O4S/c1-5-25-20(14-7-6-8-15(11-14)27-2)23-24-21(25)30-13-19(26)22-17-10-9-16(28-3)12-18(17)29-4/h6-12H,5,13H2,1-4H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,30,22,20,2,25,24,26,15,14,28,17,9,23,27,16,13,18,10,4,7,12,5,6,3,11,29,21,19,8/rA:30nCCNCNNCSCCONCCCCCCOCOCCCCCCCOC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s4;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N4O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.5043
Area:665.486
Solvation:-6.13288
Coulombic:-54.5379
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:428.506
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.7
LogP (Chemaxon):2.88

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Descriptor Annotations

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