Chemical ID: 4161383

CC(C)c1ccccc1OCC(=O)Nc2nc(cs2)c3ccc(cc3)OC
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

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Descriptor Annotations

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