Chemical ID: 6217244

c1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3)c4ccccc4
Chemical ID:
6217244
Name [?]:
3-phenyl-N-[4-(4-phenylphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C24H18N2OS/c27-23(16-11-18-7-3-1-4-8-18)26-24-25-22(17-28-24)21-14-12-20(13-15-21)19-9-5-2-6-10-19/h1-17H,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,7,19,21,18,22,8,15,4,23,20,17,14,9,12,13,11,10,16/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:28nCCCCCCCCCONCNCCSCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18N2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0357
Area:608.717
Solvation:-3.18223
Coulombic:-30.8845
Bond Count [?]
All:31
Single:18
Double:13
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:382.479
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.04
LogP (Chemaxon):6.72

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