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Chemical ID: 5510740
Chemical ID:
5510740
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C(C)(C)Oc2ccc(cc2)Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H21ClN2O3S/c1-13-18(14-5-9-16(26-4)10-6-14)23-20(28-13)24-19(25)21(2,3)27-17-11-7-15(22)8-12-17/h5-12H,1-4H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,11,12,28,22,26,16,18,23,25,15,19,2,21,17,24,14,3,8,5,10,20,4,7,9,27,13,6/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:28nCCCNCSNCOCCCOCCCCCCClCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s10;s10;s13;s14;d15;s16;d17;d14s18;s17;s3;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21ClN2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5597 |
Area: | 631.46 |
Solvation: | -5.22674 |
Coulombic: | -43.567 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 416.922 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.53 |
LogP (Chemaxon): | 5.22 |
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.
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