Chemical ID: 6725407

CC1CCc2c(sc(c2C(=O)[O-])NC(=O)c3ccco3)C1
Chemical ID:
6725407
Name [?]:
2-(2-furylcarbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CC1CCc2c(sc(c2C(=O)[O-])NC(=O)c3ccco3)C1
InChi [?]:
InChI=1/C15H15NO4S/c1-8-4-5-9-11(7-8)21-14(12(9)15(18)19)16-13(17)10-3-2-6-20-10/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,18,17,3,4,19,21,2,5,16,6,9,14,8,10,13,15,11,12,20,7/E:(18,19)/rA:21cCCCCCCSCCCOO-NCOCCCCOC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s8;s13;d14;s14;d16;s17;d18;s16s19;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14NO4S-
All Atoms:35
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-30.3964
Area:472.73
Solvation:-42.2147
Coulombic:-31.8257
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.342
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.7
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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