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Chemical ID: 3993817
Chemical ID:
3993817
Name [?]:
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(sc1N)C(=O)N(C)C)C
InChi [?]:
InChI=1/C11H16N2O3S/c1-5-16-11(15)7-6(2)8(17-9(7)12)10(14)13(3)4/h5,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,15,16,2,7,6,8,10,12,4,11,14,13,5,3,9/E:(3,4)/rA:17nCCOCOCCCSCNCONCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;s12;s14;s14;s7;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63078 |
Area: | 436.803 |
Solvation: | -2.2893 |
Coulombic: | -53.3034 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 256.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.62 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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