Chemical ID: 7246673

CCn1c(nnc1SCC(=O)N(CCOC)CCOC)c2ccccc2
Chemical ID:
7246673
Name [?]:
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)N(CCOC)CCOC)c2ccccc2
InChi [?]:
InChI=1/C18H26N4O3S/c1-4-22-17(15-8-6-5-7-9-15)19-20-18(22)26-14-16(23)21(10-12-24-2)11-13-25-3/h5-9H,4,10-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,20,2,24,23,25,22,26,13,17,14,18,9,21,10,4,7,5,6,12,3,11,15,19,8/E:(2,3)(6,7)(8,9)(10,11)(12,13)(24,25)/rA:26nCCNCNNCSCCONCCOCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12;s17;s18;s19;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N4O3S
All Atoms:52
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.93899
Area:620.086
Solvation:-5.56315
Coulombic:-44.4853
Bond Count [?]
All:27
Single:21
Double:6
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:378.49
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.15
LogP (Chemaxon):1.4

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