Chemical ID: 6179286

COC(=O)C1=C(CCS1)NC(=O)c2ccco2
Chemical ID:
6179286
Name [?]:
methyl 3-(2-furylcarbonylamino)-4,5-dihydrothiophene-2-carboxylate
SMILES [?]:
COC(=O)C1=C(CCS1)NC(=O)c2ccco2
InChi [?]:
InChI=1/C11H11NO4S/c1-15-11(14)9-7(4-6-17-9)12-10(13)8-3-2-5-16-8/h2-3,5H,4,6H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,15,14,7,16,8,6,13,5,11,3,10,12,4,2,17,9/rA:17nCOCOCCCCSNCOCCCCO/rB:s1;s2;d3;s3;d5;s6;s7;s5s8;s6;s10;d11;s11;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.80286
Area:420.833
Solvation:-2.71797
Coulombic:-49.6888
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:253.275
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):-0.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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