Chemical ID: 5784653

CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
Chemical ID:
5784653
Name [?]:
ethyl 2-oxo-5-(2-pyridylsulfanylmethyl)-1,3-dihydroimidazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
InChi [?]:
InChI=1/C12H13N3O3S/c1-2-18-11(16)10-8(14-12(17)15-10)7-19-9-5-3-4-6-13-9/h3-6H,2,7H2,1H3,(H2,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,12,7,14,6,4,9,19,8,11,5,10,3,13/rA:19nCCOCOCCNCONCSCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s9;s7;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.15367
Area:476.021
Solvation:-2.74685
Coulombic:-59.2856
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.316
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.82
LogP (Chemaxon):0.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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