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Chemical ID: 3862235
Chemical ID:
3862235
Name [?]:
N-(2-methoxyethyl)-2-(4-methylphenoxy)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)N(CCOC)c2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O3S/c1-16-8-10-18(11-9-16)26-14-20(24)23(12-13-25-2)21-22-19(15-27-21)17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,25,24,26,23,27,3,7,4,6,13,14,9,20,2,22,5,19,10,17,18,12,11,15,8,21/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCCOCCONCCOCCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26925 |
Area: | 607.074 |
Solvation: | -6.90759 |
Coulombic: | -37.4148 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.477 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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