Chemical ID: 5931863

COCCCNC(=O)C1CSC(N1C(=O)COC)c2ccc(c(c2)OC)OC
Chemical ID:
5931863
Name [?]:
2-(3,4-dimethoxyphenyl)-3-(2-methoxyacetyl)-N-(3-methoxypropyl)thiazolidine-4-carboxamide
SMILES [?]:
COCCCNC(=O)C1CSC(N1C(=O)COC)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H28N2O6S/c1-24-9-5-8-20-18(23)14-12-28-19(21(14)17(22)11-25-2)13-6-7-15(26-3)16(10-13)27-4/h6-7,10,14,19H,5,8-9,11-12H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,18,28,26,4,20,21,5,3,24,16,10,19,9,22,23,14,7,12,6,13,15,8,2,17,27,25,11/rA:28cCOCCCNCOCCSCNCOCOCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s16;s17;s12;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28N2O6S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:5.15778
Area:648.75
Solvation:-11.061
Coulombic:-65.6978
Bond Count [?]
All:29
Single:24
Double:5
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:412.501
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.56
LogP (Chemaxon):-0.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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