Chemical ID: 4360668

CCCc1c(nc(s1)NC(=O)c2ccc(cc2)C)c3ccc(cc3)C
Chemical ID:
4360668
Name [?]:
4-methyl-N-[5-propyl-4-(p-tolyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCc1c(nc(s1)NC(=O)c2ccc(cc2)C)c3ccc(cc3)C
InChi [?]:
InChI=1/C21H22N2OS/c1-4-5-18-19(16-10-6-14(2)7-11-16)22-21(25-18)23-20(24)17-12-8-15(3)9-13-17/h6-13H,4-5H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,18,2,3,21,23,14,16,20,24,13,17,22,15,19,12,4,5,10,7,6,9,11,8/E:(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCNCSNCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s5;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.1426
Area:586.736
Solvation:-2.52581
Coulombic:-29.9932
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.478
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.38
LogP (Chemaxon):6.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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