Chemical ID: 7518525

Cn1c(nnc1SCC(=O)Nc2ccc(cc2)Br)c3ccccc3OC
Chemical ID:
7518525
Name [?]:
N-(4-bromophenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2ccc(cc2)Br)c3ccccc3OC
InChi [?]:
InChI=1/C18H17BrN4O2S/c1-23-17(14-5-3-4-6-15(14)25-2)21-22-18(23)26-11-16(24)20-13-9-7-12(19)8-10-13/h3-10H,11H2,1-2H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,26,21,22,20,23,14,16,13,17,8,15,12,19,24,9,3,6,18,11,4,5,2,10,25,7/E:(7,8)(9,10)/rA:26nCNCNNCSCCONCCCCCCBrCCCCCCOC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s3;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17BrN4O2S
All Atoms:43
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.5618
Area:600.501
Solvation:-4.45069
Coulombic:-40.3282
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.24
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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