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Chemical ID: 6609911
Chemical ID:
6609911
Name [?]:
[4-(2-thienylcarbonyloxymethyl)phenyl]methyl thiophene-2-carboxylate
SMILES [?]:
c1cc(sc1)C(=O)OCc2ccc(cc2)COC(=O)c3cccs3
InChi [?]:
InChI=1/C18H14O4S2/c19-17(15-3-1-9-23-15)21-11-13-5-7-14(8-6-13)12-22-18(20)16-4-2-10-24-16/h1-10H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,22,2,21,11,15,12,14,5,23,9,16,10,13,3,20,6,18,7,19,8,17,4,24/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCSCCOOCCCCCCCCOCOCCCCS/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14O4S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6902 |
Area: | 597.431 |
Solvation: | -3.24563 |
Coulombic: | -43.3514 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 358.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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