Chemical ID: 6034609

COc1ccc(cc1)CC(=O)N2CCSC2c3ccc4c(c3)OCO4
Chemical ID:
6034609
Name [?]:
1-(2-benzo[1,3]dioxol-5-ylthiazolidin-3-yl)-2-(4-methoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(cc1)CC(=O)N2CCSC2c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C19H19NO4S/c1-22-15-5-2-13(3-6-15)10-18(21)20-8-9-25-19(20)14-4-7-16-17(11-14)24-12-23-16/h2-7,11,19H,8-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,18,4,8,19,13,14,9,22,24,6,17,3,20,21,10,16,12,11,2,25,23,15/E:(2,3)(5,6)/rA:25cCOCCCCCCCCONCCSCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s12s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.04664
Area:551.063
Solvation:-5.72992
Coulombic:-40.5559
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.424
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.27
LogP (Chemaxon):3.04

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Descriptor Annotations

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