Chemical ID: 3849328

Cc1cccc(c1)NC(=O)CSc2nnc(n2CCCOC)C
Chemical ID:
3849328
Name [?]:
2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CSc2nnc(n2CCCOC)C
InChi [?]:
InChI=1/C16H22N4O2S/c1-12-6-4-7-14(10-12)17-15(21)11-23-16-19-18-13(2)20(16)8-5-9-22-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,4,19,3,5,18,20,7,11,2,16,6,9,13,8,15,14,17,10,21,12/rA:23nCCCCCCCNCOCSCNNCNCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;s19;s20;s21;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N4O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.79672
Area:575.946
Solvation:-4.60193
Coulombic:-38.5837
Bond Count [?]
All:24
Single:18
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:334.438
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):1.64

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Descriptor Annotations

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