Chemical ID: 7256812

Cn1c(nnc1SCC(=O)NC2CC2)c3ccccc3OC
Chemical ID:
7256812
Name [?]:
N-cyclopropyl-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)NC2CC2)c3ccccc3OC
InChi [?]:
InChI=1/C15H18N4O2S/c1-19-14(11-5-3-4-6-12(11)21-2)17-18-15(19)22-9-13(20)16-10-7-8-10/h3-6,10H,7-9H2,1-2H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,22,17,18,16,19,13,14,8,12,15,20,9,3,6,11,4,5,2,10,21,7/E:(7,8)/rA:22nCNCNNCSCCONCCCCCCCCCOC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;s12;s12s13;s3;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N4O2S
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.08919
Area:534.748
Solvation:-4.2795
Coulombic:-39.8937
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:318.395
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):1.28

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Descriptor Annotations

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