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Chemical ID: 4322936
Chemical ID:
4322936
Name [?]:
N-[4-(4-methyl-1-naphthyl)thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(cs1)c2ccc(c3c2cccc3)C
InChi [?]:
InChI=1/C17H16N2OS/c1-3-16(20)19-17-18-15(10-21-17)14-9-8-11(2)12-6-4-5-7-13(12)14/h4-10H,3H2,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,19,18,20,17,13,12,9,14,15,16,11,8,3,6,7,5,4,10/rA:21nCCCONCNCCSCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73409 |
Area: | 489.122 |
Solvation: | -2.49396 |
Coulombic: | -27.5165 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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