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Chemical ID: 5732008
Chemical ID:
5732008
Name [?]:
3-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCc2ccc(cc2)OC)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H22N2O3S/c1-14-20(16-7-11-18(26-3)12-8-16)23-21(27-14)22-19(24)13-6-15-4-9-17(25-2)10-5-15/h4-5,7-12H,6,13H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,19,27,13,17,11,21,25,14,16,22,24,10,2,12,20,15,23,8,3,5,7,4,9,18,26,6/E:(4,5)(7,8)(9,10)(11,12)/rA:27nCCCNCSNCOCCCCCCCCOCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s3;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: | 10.2631 |
Area: | 622.446 |
Solvation: | -5.29807 |
Coulombic: | -41.1313 |
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: | 3.49 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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