Chemical ID: 3928313

CC(C)c1nnc(n1C)SCC(=O)Nc2cccc3c2cccc3
Chemical ID:
3928313
Name [?]:
2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthyl)acetamide
SMILES [?]:
CC(C)c1nnc(n1C)SCC(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C18H20N4OS/c1-12(2)17-20-21-18(22(17)3)24-11-16(23)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,11H2,1-3H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,3,9,23,22,17,24,18,21,16,11,2,19,20,15,12,4,7,14,5,6,8,13,10/E:(1,2)/rA:24nCCCCNNCNCSCCONCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s4s7;s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N4OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.091
Area:561.163
Solvation:-2.93811
Coulombic:-33.3329
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.444
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.63
LogP (Chemaxon):3.48

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Descriptor Annotations

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