Chemical ID: 5940286

CCC(=O)Nc1cccc(c1)c2csc(n2)Nc3ccc(cc3Cl)Cl
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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