Chemical ID: 5580759

COc1ccc(c(c1)c2csc(n2)NC(=O)c3ccc(cc3)OCC4CCCO4)OC
Chemical ID:
5580759
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-(tetrahydrofuran-2-ylmethoxy)benzamide
SMILES [?]:
COc1ccc(c(c1)c2csc(n2)NC(=O)c3ccc(cc3)OCC4CCCO4)OC
InChi [?]:
InChI=1/C23H24N2O5S/c1-27-17-9-10-21(28-2)19(12-17)20-14-31-23(24-20)25-22(26)15-5-7-16(8-6-15)30-13-18-4-3-11-29-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,31,27,26,18,22,19,21,4,5,28,8,24,10,17,20,3,25,7,9,6,15,12,13,14,16,2,30,29,23,11/E:(5,6)(7,8)/rA:31cCOCCCCCCCCSCNNCOCCCCCCOCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;s26;s27;s25s28;s6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O5S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.40973
Area:679.331
Solvation:-8.57355
Coulombic:-54.9705
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:440.513
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.93
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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