Chemical ID: 6359539

CC(C)c1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc4ccccc4c3
Chemical ID:
6359539
Name [?]:
3-(4-isopropylphenyl)-N-[4-(2-naphthyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
CC(C)c1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C25H22N2OS/c1-17(2)19-10-7-18(8-11-19)9-14-24(28)27-25-26-23(16-29-25)22-13-12-20-5-3-4-6-21(20)15-22/h3-17H,1-2H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,24,27,6,8,10,5,9,22,21,11,29,18,2,7,4,23,28,20,17,12,15,16,14,13,19/E:(1,2)(7,8)(10,11)/rA:29nCCCCCCCCCCCCONCNCCSCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5879
Area:624.973
Solvation:-3.03644
Coulombic:-30.457
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:398.521
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.77
LogP (Chemaxon):7.23

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