Chemical ID: 7293528

CC(C)NC(=O)CSc1nnc(n1C2CCCCC2)c3ccc(cc3Cl)Cl
Chemical ID:
7293528
Name [?]:
2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide
SMILES [?]:
CC(C)NC(=O)CSc1nnc(n1C2CCCCC2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H24Cl2N4OS/c1-12(2)22-17(26)11-27-19-24-23-18(15-9-8-13(20)10-16(15)21)25(19)14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,22,21,24,7,2,23,14,20,25,5,12,9,27,26,4,11,10,13,6,8/E:(1,2)(4,5)(6,7)/rA:27nCCCNCOCSCNNCNCCCCCCCCCCCCClCl/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;s13;s14;s15;s16;s17;s14s18;s12;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24Cl2N4OS
All Atoms:51
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.4069
Area:640.288
Solvation:-2.60027
Coulombic:-35.0305
Bond Count [?]
All:29
Single:23
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:427.392
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.92
LogP (Chemaxon):4.52

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Descriptor Annotations

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