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Chemical ID: 5770117
Chemical ID:
5770117
Name [?]:
N-[4-[2-(1-naphthylamino)thiazol-4-yl]phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C22H19N3OS/c1-2-21(26)23-17-12-10-16(11-13-17)20-14-27-22(25-20)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,20,27,21,24,19,8,10,7,11,13,22,9,6,23,18,12,3,15,5,17,16,4,14/E:(10,11)(12,13)/rA:27nCCCONCCCCCCCCSCNNCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N3OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7987 |
Area: | 594.353 |
Solvation: | -3.06011 |
Coulombic: | -39.6776 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.472 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.84 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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