Chemical ID: 6158819

CCc1c(nc(s1)NC(=O)c2ccc(c(c2)C)C)c3ccccc3
Chemical ID:
6158819
Name [?]:
N-(5-ethyl-4-phenyl-thiazol-2-yl)-3,4-dimethyl-benzamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)c2ccc(c(c2)C)C)c3ccccc3
InChi [?]:
InChI=1/C20H20N2OS/c1-4-17-18(15-8-6-5-7-9-15)21-20(24-17)22-19(23)16-11-10-13(2)14(3)12-16/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,17,2,22,21,23,20,24,13,12,16,14,15,19,11,3,4,9,6,5,8,10,7/E:(6,7)(8,9)/rA:24nCCCCNCSNCOCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s4;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.3443
Area:554.125
Solvation:-2.50881
Coulombic:-29.6765
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.452
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.81
LogP (Chemaxon):5.85

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Descriptor Annotations

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