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Chemical ID: 4153964
Chemical ID:
4153964
Name [?]:
4-(3-methylphenoxy)-N-(4-phenylthiazol-2-yl)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-15-7-5-10-17(13-15)24-12-6-11-19(23)22-20-21-18(14-25-20)16-8-3-2-4-9-16/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,4,10,3,21,25,5,11,9,7,18,2,20,6,17,12,15,16,14,13,8,19/E:(3,4)(8,9)/rA:25nCCCCCCCOCCCCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5428 |
Area: | 591.607 |
Solvation: | -4.24735 |
Coulombic: | -34.7545 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.46 |
LogP (Chemaxon): | 5.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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