Chemical ID: 7316989

Cc1cccc(c1OCC(=O)NCCN2C(=O)C(=Cc3ccccc3)SC2=O)C
Chemical ID:
7316989
Name [?]:
N-[2-(5-benzylidene-2,4-dioxo-thiazolidin-3-yl)ethyl]-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)NCCN2C(=O)C(=Cc3ccccc3)SC2=O)C
InChi [?]:
InChI=1/C22H22N2O4S/c1-15-7-6-8-16(2)20(15)28-14-19(25)23-11-12-24-21(26)18(29-22(24)27)13-17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,29,23,22,24,4,3,5,21,25,13,14,19,9,2,6,20,18,10,7,16,27,12,15,11,17,28,8,26/E:(1,2)(4,5)(7,8)(9,10)(15,16)/rA:29nCCCCCCCOCCONCCNCOCCCCCCCCSCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s18;s15s26;d27;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O4S
All Atoms:51
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2666
Area:652.753
Solvation:-5.05217
Coulombic:-58.3232
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:410.487
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.93
LogP (Chemaxon):3.55

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Descriptor Annotations

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