Chemical ID: 3933807

CCCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)C)C(C)C
Chemical ID:
3933807
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CCCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)C)C(C)C
InChi [?]:
InChI=1/C17H23ClN4OS/c1-5-8-22-16(11(2)3)20-21-17(22)24-10-15(23)19-13-7-6-12(4)14(18)9-13/h6-7,9,11H,5,8,10H2,1-4H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,21,2,16,15,3,19,10,22,17,14,18,11,5,8,20,13,6,7,4,12,9/E:(2,3)/rA:24nCCCNCNNCSCCONCCCCCCClCCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s5;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23ClN4OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.3879
Area:601.197
Solvation:-2.64203
Coulombic:-33.0701
Bond Count [?]
All:25
Single:19
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.91
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):4.27

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