Chemical ID: 5510740

Cc1c(nc(s1)NC(=O)C(C)(C)Oc2ccc(cc2)Cl)c3ccc(cc3)OC
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

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Descriptor Annotations

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