Chemical ID: 4153898

CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccc(cc3)Cl
Chemical ID:
4153898
Name [?]:
4-(4-chlorophenoxy)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-butanamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H21ClN2O3S/c1-2-26-17-9-5-15(6-10-17)19-14-28-21(23-19)24-20(25)4-3-13-27-18-11-7-16(22)8-12-18/h5-12,14H,2-4,13H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,6,8,24,26,5,9,23,27,20,11,7,25,4,22,10,16,13,28,14,15,17,3,21,12/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCOCCCCCCCCSCNNCOCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21ClN2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3472
Area:673.812
Solvation:-5.49811
Coulombic:-41.2298
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:416.922
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.99
LogP (Chemaxon):5.26

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