Chemical ID: 6379880

Cc1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
6379880
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-3-(p-tolyl)prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H15ClN2OS/c1-13-2-4-14(5-3-13)6-11-18(23)22-19-21-17(12-24-19)15-7-9-16(20)10-8-15/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,19,23,20,22,9,16,2,5,18,21,15,10,13,24,14,12,11,17/E:(2,3)(4,5)(7,8)(9,10)/rA:24nCCCCCCCCCCONCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.0877
Area:557.242
Solvation:-2.84339
Coulombic:-29.2436
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:354.854
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.16
LogP (Chemaxon):6.02

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