Chemical ID: 7377403

Cc1c(nc(s1)NC(=O)CCc2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)F
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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