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Chemical ID: 4162158
Chemical ID:
4162158
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]-4-phenoxy-butanamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccccc3
InChi [?]:
InChI=1/C20H20N2O3S/c1-24-16-11-9-15(10-12-16)18-14-26-20(21-18)22-19(23)8-5-13-25-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,18,22,26,17,5,7,4,8,19,10,6,3,21,9,15,12,13,14,16,2,20,11/E:(3,4)(6,7)(9,10)(11,12)/rA:26nCOCCCCCCCCSCNNCOCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74513 |
Area: | 612.018 |
Solvation: | -5.55532 |
Coulombic: | -41.0748 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.94 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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