Chemical ID: 3928290

Cc1ccc(cc1)NC(=O)CSc2nnc(n2CCOC)C(C)C
Chemical ID:
3928290
Name [?]:
2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc(n2CCOC)C(C)C
InChi [?]:
InChI=1/C17H24N4O2S/c1-12(2)16-19-20-17(21(16)9-10-23-4)24-11-15(22)18-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:23,24,1,21,3,7,4,6,18,19,11,22,2,5,9,16,13,8,15,14,17,10,20,12/E:(1,2)(5,6)(7,8)/rA:24nCCCCCCCNCOCSCNNCNCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;s19;s20;s16;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6983
Area:593.333
Solvation:-4.13506
Coulombic:-40.2548
Bond Count [?]
All:25
Single:19
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:348.464
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.61
LogP (Chemaxon):2.78

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Descriptor Annotations

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