Chemical ID: 4160435

CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccc(cc3C)C
Chemical ID:
4160435
Name [?]:
4-(2,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-butanamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccc(cc3C)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-4-27-19-10-8-18(9-11-19)20-15-29-23(24-20)25-22(26)6-5-13-28-21-12-7-16(2)14-17(21)3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,28,2,19,18,24,6,8,5,9,23,20,26,11,25,27,7,4,10,22,16,13,14,15,17,3,21,12/E:(8,9)(10,11)/rA:29nCCOCCCCCCCCSCNNCOCCCOCCCCCCCC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6673
Area:685.04
Solvation:-5.45871
Coulombic:-41.0165
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.53
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):5.68

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Descriptor Annotations

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