methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Chemical Structure Depiction of
methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | F128-0556 |
| Compound Name: | methyl 3-[4-amino-5-(methylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate |
| Molecular Weight: | 323.39 |
| Molecular Formula: | C13 H13 N3 O3 S2 |
| Smiles: | CNC(C1=C(N)N(C(=S)S1)c1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3606 |
| logD: | 1.3606 |
| logSw: | -2.3089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.124 |
| InChI Key: | FFTDOFMYNFQRBZ-UHFFFAOYSA-N |