Chemical ID: 3933736

CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)C)C(C)C
Chemical ID:
3933736
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)C)C(C)C
InChi [?]:
InChI=1/C16H21ClN4OS/c1-5-21-15(10(2)3)19-20-16(21)23-9-14(22)18-12-7-6-11(4)13(17)8-12/h6-8,10H,5,9H2,1-4H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,20,2,15,14,18,9,21,16,13,17,10,4,7,19,12,5,6,3,11,8/E:(2,3)/rA:23nCCNCNNCSCCONCCCCCCClCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s4;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21ClN4OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.7354
Area:576.692
Solvation:-2.68186
Coulombic:-32.6553
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.883
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.63
LogP (Chemaxon):3.8

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Descriptor Annotations

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