methyl 3-{4-amino-5-[(2-methylphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-{4-amino-5-[(2-methylphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}-4-methylbenzoate
methyl 3-{4-amino-5-[(2-methylphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}-4-methylbenzoate
Compound characteristics
| Compound ID: | F128-0578 |
| Compound Name: | methyl 3-{4-amino-5-[(2-methylphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}-4-methylbenzoate |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C20 H19 N3 O3 S2 |
| Smiles: | Cc1ccccc1NC(C1=C(N)N(C(=S)S1)c1cc(ccc1C)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.816 |
| logD: | 3.816 |
| logSw: | -4.2459 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.381 |
| InChI Key: | GRHFDXSGGDQRQR-UHFFFAOYSA-N |