Chemical ID: 4149537

c1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)Cl
Chemical ID:
4149537
Name [?]:
3-(4-chlorophenyl)-N-(4-phenylthiazol-2-yl)-prop-2-enamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13ClN2OS/c19-15-9-6-13(7-10-15)8-11-17(22)21-18-20-16(12-23-18)14-4-2-1-3-5-14/h1-12H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,22,16,19,21,15,8,17,4,20,7,13,10,23,11,12,14,9/E:(2,3)(4,5)(6,7)(9,10)/rA:23nCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7542
Area:537.543
Solvation:-2.68435
Coulombic:-29.7627
Bond Count [?]
All:25
Single:15
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:340.827
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.72
LogP (Chemaxon):5.55

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