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Chemical ID: 5940286
Chemical ID:
5940286
Name [?]:
N-[3-[2-(2,4-dichlorophenyl)aminothiazol-4-yl]phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1cccc(c1)c2csc(n2)Nc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H15Cl2N3OS/c1-2-17(24)21-13-5-3-4-11(8-13)16-10-25-18(23-16)22-15-7-6-12(19)9-14(15)20/h3-10H,2H2,1H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,7,20,19,11,22,13,10,21,6,23,18,12,3,15,25,24,5,17,16,4,14/rA:25nCCCONCCCCCCCCSCNNCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s13;s14;s12d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15Cl2N3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1168 |
Area: | 600.136 |
Solvation: | -2.8866 |
Coulombic: | -38.9928 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.303 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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