Chemical ID: 3933705

CCc1cccc(c1NC(=O)CSc2nnc(n2CC)C(C)C)C
Chemical ID:
3933705
Name [?]:
2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)CSc2nnc(n2CC)C(C)C)C
InChi [?]:
InChI=1/C18H26N4OS/c1-6-14-10-8-9-13(5)16(14)19-15(23)11-24-18-21-20-17(12(3)4)22(18)7-2/h8-10,12H,6-7,11H2,1-5H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,20,22,23,24,2,19,5,6,4,12,21,7,3,10,8,17,14,9,16,15,18,11,13/E:(3,4)/rA:24nCCCCCCCCNCOCSCNNCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s19;s17;s21;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N4OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.5592
Area:574.298
Solvation:-2.79825
Coulombic:-32.5774
Bond Count [?]
All:25
Single:19
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:346.491
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.7
LogP (Chemaxon):2.85

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Descriptor Annotations

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