ethyl 4-[4-amino-5-(butylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[4-amino-5-(butylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
ethyl 4-[4-amino-5-(butylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0113 |
| Compound Name: | ethyl 4-[4-amino-5-(butylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C17 H21 N3 O3 S2 |
| Smiles: | CCCCNC(C1=C(N)N(C(=S)S1)c1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3459 |
| logD: | 3.3459 |
| logSw: | -3.5378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.395 |
| InChI Key: | CXVLLGKLBURNDU-UHFFFAOYSA-N |