Chemical ID: 3933831

Cc1cccc(c1NC(=O)CSc2nnc(n2CCOC)C(C)C)C
Chemical ID:
3933831
Name [?]:
N-(2,6-dimethylphenyl)-2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CSc2nnc(n2CCOC)C(C)C)C
InChi [?]:
InChI=1/C18H26N4O2S/c1-12(2)17-20-21-18(22(17)9-10-24-5)25-11-15(23)19-16-13(3)7-6-8-14(16)4/h6-8,12H,9-11H2,1-5H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:23,24,1,25,21,4,3,5,18,19,11,22,2,6,9,7,16,13,8,15,14,17,10,20,12/E:(1,2)(3,4)(7,8)(13,14)/rA:25nCCCCCCCNCOCSCNNCNCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;s19;s20;s16;s22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9117
Area:606.356
Solvation:-4.24716
Coulombic:-40.0198
Bond Count [?]
All:26
Single:20
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:362.491
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):1.95

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