Chemical ID: 5940085

CCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)Cl
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

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