Chemical ID: 5187302

Cc1c(nc(s1)NC(=O)CCCOc2ccc(cc2)OC)c3ccccc3
Chemical ID:
5187302
Name [?]:
4-(4-methoxyphenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)-butanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCCOc2ccc(cc2)OC)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O3S/c1-15-20(16-7-4-3-5-8-16)23-21(27-15)22-19(24)9-6-14-26-18-12-10-17(25-2)11-13-18/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,25,24,26,11,23,27,10,16,18,15,19,12,2,22,17,14,8,3,5,7,4,9,20,13,6/E:(4,5)(7,8)(10,11)(12,13)/rA:27nCCCNCSNCOCCCOCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s3;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3571
Area:630.891
Solvation:-5.4152
Coulombic:-41.2129
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.477
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):4.4

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Descriptor Annotations

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