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Chemical ID: 7256812
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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