Chemical ID: 3993817

CCOC(=O)c1c(c(sc1N)C(=O)N(C)C)C
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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