ethyl 4-{4-amino-5-[(2-phenylethyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-amino-5-[(2-phenylethyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}benzoate
ethyl 4-{4-amino-5-[(2-phenylethyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-0114 |
| Compound Name: | ethyl 4-{4-amino-5-[(2-phenylethyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}benzoate |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | CCOC(c1ccc(cc1)N1C(=C(C(NCCc2ccccc2)=O)SC1=S)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4669 |
| logD: | 3.4669 |
| logSw: | -3.7143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.123 |
| InChI Key: | WANJVQSAKXQVQT-UHFFFAOYSA-N |