Chemical ID: 7249042

CCCn1c(nnc1SCC(=O)Nc2cc(ccc2Cl)Cl)O
Chemical ID:
7249042
Name [?]:
N-(2,5-dichlorophenyl)-2-[(5-hydroxy-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CCCn1c(nnc1SCC(=O)Nc2cc(ccc2Cl)Cl)O
InChi [?]:
InChI=1/C13H14Cl2N4O2S/c1-2-5-19-12(21)17-18-13(19)22-7-11(20)16-10-6-8(14)3-4-9(10)15/h3-4,6H,2,5,7H2,1H3,(H,16,20)(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,3,15,10,16,19,14,11,5,8,21,20,13,6,7,4,12,22,9/rA:22nCCCNCNNCSCCONCCCCCCClClO/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14Cl2N4O2S
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.165
Area:564.474
Solvation:-2.94688
Coulombic:-51.725
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.247
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):2.83

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Descriptor Annotations

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