ethyl 4-[4-amino-5-{[(oxolan-2-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[4-amino-5-{[(oxolan-2-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
ethyl 4-[4-amino-5-{[(oxolan-2-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0331 |
| Compound Name: | ethyl 4-[4-amino-5-{[(oxolan-2-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C18 H21 N3 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)N1C(=C(C(NCC2CCCO2)=O)SC1=S)N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.084 |
| logD: | 2.084 |
| logSw: | -2.6543 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.936 |
| InChI Key: | HPCREPBRUGYTBI-CYBMUJFWSA-N |