methyl 3-(4-amino-5-carbamoyl-2-sulfanylidene-1,3-thiazol-3(2H)-yl)benzoate
Chemical Structure Depiction of
methyl 3-(4-amino-5-carbamoyl-2-sulfanylidene-1,3-thiazol-3(2H)-yl)benzoate
methyl 3-(4-amino-5-carbamoyl-2-sulfanylidene-1,3-thiazol-3(2H)-yl)benzoate
Compound characteristics
| Compound ID: | F128-0543 |
| Compound Name: | methyl 3-(4-amino-5-carbamoyl-2-sulfanylidene-1,3-thiazol-3(2H)-yl)benzoate |
| Molecular Weight: | 309.36 |
| Molecular Formula: | C12 H11 N3 O3 S2 |
| Smiles: | COC(c1cccc(c1)N1C(=C(C(N)=O)SC1=S)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0525 |
| logD: | 1.0525 |
| logSw: | -2.1461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 78.347 |
| InChI Key: | KQHGDJSOEWIUBJ-UHFFFAOYSA-N |