Chemical ID: 3861008

Cc1ccc(cc1)OCC(=O)N(CCCN2CCOCC2)c3nc(cs3)c4cc(ccc4OC)OC
Chemical ID:
3861008
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-2-(4-methylphenoxy)-N-(3-morpholinopropyl)acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)N(CCCN2CCOCC2)c3nc(cs3)c4cc(ccc4OC)OC
InChi [?]:
InChI=1/C27H33N3O5S/c1-20-5-7-21(8-6-20)35-18-26(31)30(12-4-11-29-13-15-34-16-14-29)27-28-24(19-36-27)23-17-22(32-2)9-10-25(23)33-3/h5-10,17,19H,4,11-16,18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,34,14,3,7,4,6,30,31,15,13,17,21,18,20,28,9,25,2,5,29,27,24,32,10,22,23,16,12,11,35,33,19,8,26/E:(5,6)(7,8)(13,14)(15,16)/rA:36nCCCCCCCOCCONCCCNCCOCCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s12;d22;s23;d24;s22s25;s24;s27;d28;s29;d30;d27s31;s32;s33;s29;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33N3O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:9.10903
Area:775.424
Solvation:-10.2766
Coulombic:-54.617
Bond Count [?]
All:39
Single:30
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:511.634
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.73
LogP (Chemaxon):3.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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