Chemical ID: 4153220

CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccccc3C
Chemical ID:
4153220
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-4-(2-methylphenoxy)-butanamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccccc3C
InChi [?]:
InChI=1/C22H24N2O3S/c1-3-26-18-12-10-17(11-13-18)19-15-28-22(23-19)24-21(25)9-6-14-27-20-8-5-4-7-16(20)2/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,25,24,19,26,23,18,6,8,5,9,20,11,27,7,4,10,22,16,13,14,15,17,3,21,12/E:(10,11)(12,13)/rA:28nCCOCCCCCCCCSCNNCOCCCOCCCCCCC/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0853
Area:661.712
Solvation:-5.45753
Coulombic:-41.254
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.504
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):5.21

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Descriptor Annotations

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