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Chemical ID: 4161383
Chemical ID:
4161383
Name [?]:
2-(2-isopropylphenoxy)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)Nc2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H22N2O3S/c1-14(2)17-6-4-5-7-19(17)26-12-20(24)23-21-22-18(13-27-21)15-8-10-16(25-3)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,27,6,7,5,8,21,25,22,24,11,18,2,20,23,4,17,9,12,15,16,14,13,26,10,19/E:(1,2)(8,9)(10,11)/rA:27nCCCCCCCCCOCCONCNCCSCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74564 |
Area: | 621.266 |
Solvation: | -5.78601 |
Coulombic: | -42.3293 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.477 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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