methyl 3-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
methyl 3-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
Compound characteristics
| Compound ID: | F128-0584 |
| Compound Name: | methyl 3-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C21 H19 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1N1C(=C(C(NCc2ccc3c(c2)OCO3)=O)SC1=S)N)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4872 |
| logD: | 3.4872 |
| logSw: | -3.9507 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.516 |
| InChI Key: | ZAFSSMWKRKOXAQ-UHFFFAOYSA-N |