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Chemical ID: 5940085
Chemical ID:
5940085
Name [?]:
N-[4-[2-(3-chlorophenyl)aminothiazol-4-yl]phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H16ClN3OS/c1-2-17(23)20-14-8-6-12(7-9-14)16-11-24-18(22-16)21-15-5-3-4-13(19)10-15/h3-11H,2H2,1H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,8,10,7,11,23,13,9,22,6,18,12,3,15,24,5,17,16,4,14/E:(6,7)(8,9)/rA:24nCCCONCCCCCCCCSCNNCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClN3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.464 |
Area: | 570.004 |
Solvation: | -2.78606 |
Coulombic: | -38.8961 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.858 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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