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Chemical ID: 7377403
Chemical ID:
7377403
Name [?]:
N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCc2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)F
InChi [?]:
InChI=1/C22H23FN2O4S/c1-13-20(15-6-8-16(23)9-7-15)25-22(30-13)24-19(26)10-5-14-11-17(27-2)21(29-4)18(12-14)28-3/h6-9,11-12H,5,10H2,1-4H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,19,23,21,11,25,29,26,28,10,17,13,2,12,24,27,16,14,8,3,15,5,30,7,4,9,18,22,20,6/E:(2,3)(6,7)(8,9)(11,12)(17,18)(27,28)/rA:30nCCCNCSNCOCCCCCCCCOCOCOCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s14;s22;s3;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23FN2O4S |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38346 |
Area: | 661.978 |
Solvation: | -8.16599 |
Coulombic: | -51.2163 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 430.493 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.16 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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