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Chemical ID: 5187302
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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