Chemical ID: 4322936

CCC(=O)Nc1nc(cs1)c2ccc(c3c2cccc3)C
Chemical ID:
4322936
Name [?]:
N-[4-(4-methyl-1-naphthyl)thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(cs1)c2ccc(c3c2cccc3)C
InChi [?]:
InChI=1/C17H16N2OS/c1-3-16(20)19-17-18-15(10-21-17)14-9-8-11(2)12-6-4-5-7-13(12)14/h4-10H,3H2,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,19,18,20,17,13,12,9,14,15,16,11,8,3,6,7,5,4,10/rA:21nCCCONCNCCSCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.73409
Area:489.122
Solvation:-2.49396
Coulombic:-27.5165
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.388
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.07
LogP (Chemaxon):4.81

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Descriptor Annotations

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