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Chemical ID: 3860823
Chemical ID:
3860823
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-ethyl-2-(4-methylphenoxy)-acetamide
SMILES [?]:
CCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccc(cc3)C
InChi [?]:
InChI=1/C22H24N2O4S/c1-5-24(21(25)13-28-16-8-6-15(2)7-9-16)22-23-19(14-29-22)18-12-17(26-3)10-11-20(18)27-4/h6-12,14H,5,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,18,16,2,25,27,24,28,12,13,10,21,7,26,23,11,9,6,14,19,4,5,3,20,17,15,22,8/E:(6,7)(8,9)/rA:29nCCNCNCCSCCCCCCOCOCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s14;s15;s11;s17;s3;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.46866 |
Area: | 631.065 |
Solvation: | -8.30797 |
Coulombic: | -41.315 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 412.503 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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