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Chemical ID: 6851685
Chemical ID:
6851685
Name [?]:
methyl 2-(2-ethoxybenzoyl)amino-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(c2C(=O)OC)NC(=O)c3ccccc3OCC)C
InChi [?]:
InChI=1/C24H25NO5S/c1-5-29-17-13-11-16(12-14-17)20-15(3)31-23(21(20)24(27)28-4)25-22(26)18-9-7-8-10-19(18)30-6-2/h7-14H,5-6H2,1-4H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,30,31,18,2,29,24,25,23,26,6,8,5,9,11,7,4,22,27,10,14,20,13,15,19,21,16,17,3,28,12/E:(11,12)(13,14)/rA:31nCCOCCCCCCCCSCCCOOCNCOCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s14;d15;s15;s17;s13;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s29;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO5S |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6936 |
Area: | 675.883 |
Solvation: | -6.20344 |
Coulombic: | -55.517 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 439.525 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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