Chemical ID: 4720861

COC(=O)c1c(ccs1)Oc2ncccn2
Chemical ID:
4720861
Name [?]:
methyl 3-pyrimidin-2-yloxythiophene-2-carboxylate
SMILES [?]:
COC(=O)c1c(ccs1)Oc2ncccn2
InChi [?]:
InChI=1/C10H8N2O3S/c1-14-9(13)8-7(3-6-16-8)15-10-11-4-2-5-12-10/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,7,13,15,8,6,5,3,11,12,16,4,2,10,9/E:(4,5)(11,12)/rA:16nCOCOCCCCSOCNCCCN/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s6;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2O3S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.60437
Area:388.401
Solvation:-3.10565
Coulombic:-40.0894
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:236.248
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.22
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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