methyl 3-{4-amino-5-[(2-chlorophenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-{4-amino-5-[(2-chlorophenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}-4-methylbenzoate
methyl 3-{4-amino-5-[(2-chlorophenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}-4-methylbenzoate
Compound characteristics
| Compound ID: | F128-0579 |
| Compound Name: | methyl 3-{4-amino-5-[(2-chlorophenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}-4-methylbenzoate |
| Molecular Weight: | 433.93 |
| Molecular Formula: | C19 H16 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(cc1N1C(=C(C(Nc2ccccc2[Cl])=O)SC1=S)N)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0719 |
| logD: | 4.0719 |
| logSw: | -4.4031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.381 |
| InChI Key: | KEFMBUZNGLPSKK-UHFFFAOYSA-N |