Chemical ID: 4508388

CC(=O)Nc1ncc(s1)Cc2cccc3c2cccc3
Chemical ID:
4508388
Name [?]:
N-[5-(1-naphthylmethyl)thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1ncc(s1)Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C16H14N2OS/c1-11(19)18-16-17-10-14(20-16)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,10H,9H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,13,20,14,12,17,10,7,2,15,11,8,16,5,6,4,3,9/rA:20nCCONCNCCSCCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.34465
Area:466.461
Solvation:-3.31687
Coulombic:-25.7755
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.361
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.49
LogP (Chemaxon):3.32

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