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Chemical ID: 6179286
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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