Chemical ID: 3860823

CCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccc(cc3)C
Chemical ID:
3860823
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-ethyl-2-(4-methylphenoxy)-acetamide
SMILES [?]:
CCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccc(cc3)C
InChi [?]:
InChI=1/C22H24N2O4S/c1-5-24(21(25)13-28-16-8-6-15(2)7-9-16)22-23-19(14-29-22)18-12-17(26-3)10-11-20(18)27-4/h6-12,14H,5,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,18,16,2,25,27,24,28,12,13,10,21,7,26,23,11,9,6,14,19,4,5,3,20,17,15,22,8/E:(6,7)(8,9)/rA:29nCCNCNCCSCCCCCCOCOCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s14;s15;s11;s17;s3;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.46866
Area:631.065
Solvation:-8.30797
Coulombic:-41.315
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:412.503
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.34
LogP (Chemaxon):4.29

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Descriptor Annotations

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