Chemical ID: 3860611

Cc1c(cccc1Cl)NC(=O)CSc2nnc(n2CCOC)C
Chemical ID:
3860611
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CSc2nnc(n2CCOC)C
InChi [?]:
InChI=1/C15H19ClN4O2S/c1-10-12(16)5-4-6-13(10)17-14(21)9-23-15-19-18-11(2)20(15)7-8-22-3/h4-6H,7-9H2,1-3H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,5,6,4,19,20,12,2,17,7,3,10,14,8,9,16,15,18,11,21,13/rA:23nCCCCCCCClNCOCSCNNCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s19;s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19ClN4O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3351
Area:575.067
Solvation:-4.04156
Coulombic:-39.623
Bond Count [?]
All:24
Single:18
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.856
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.47
LogP (Chemaxon):1.46

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Descriptor Annotations

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