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Chemical ID: 7260849
Chemical ID:
7260849
Name [?]:
3-acetamido-N-[4-(2-naphthyl)thiazol-2-yl]-propanamide
SMILES [?]:
CC(=O)NCCC(=O)Nc1nc(cs1)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C18H17N3O2S/c1-12(22)19-9-8-17(23)21-18-20-16(11-24-18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,17,16,6,5,24,13,2,18,23,15,12,7,10,4,11,9,3,8,14/rA:24nCCONCCCONCNCCSCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3O2S |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97038 |
Area: | 566.877 |
Solvation: | -4.20154 |
Coulombic: | -45.9974 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.413 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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