Chemical ID: 3849320

Cn1c(nnc1SCC(=O)Nc2cccc(c2)Cl)c3ccc(c(c3)OC)OC
Chemical ID:
3849320
Name [?]:
N-(3-chlorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2cccc(c2)Cl)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C19H19ClN4O3S/c1-24-18(12-7-8-15(26-2)16(9-12)27-3)22-23-19(24)28-11-17(25)21-14-6-4-5-13(20)10-14/h4-10H,11H2,1-3H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,28,26,14,15,13,20,21,24,17,8,19,16,12,22,23,9,3,6,18,11,4,5,2,10,27,25,7/rA:28nCNCNNCSCCONCCCCCCClCCCCCCOCOC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s3;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClN4O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.68147
Area:641.216
Solvation:-6.34892
Coulombic:-46.6208
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:418.898
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):3.31

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Descriptor Annotations

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