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Chemical ID: 4508388
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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