Chemical ID: 3873804

COCCCn1c(nnc1SCC(=O)N)c2ccccc2
Chemical ID:
3873804
Name [?]:
2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
COCCCn1c(nnc1SCC(=O)N)c2ccccc2
InChi [?]:
InChI=1/C14H18N4O2S/c1-20-9-5-8-18-13(11-6-3-2-4-7-11)16-17-14(18)21-10-12(15)19/h2-4,6-7H,5,8-10H2,1H3,(H2,15,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,4,17,21,5,3,12,16,13,7,10,15,8,9,6,14,2,11/E:(3,4)(6,7)/rA:21nCOCCCNCNNCSCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s13;s7;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N4O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.63984
Area:519.969
Solvation:-4.3594
Coulombic:-45.4615
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:306.384
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.61
LogP (Chemaxon):0.78

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