methyl 3-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
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]benzoate
methyl 3-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | F128-0557 |
| Compound Name: | methyl 3-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C20 H17 N3 O5 S2 |
| Smiles: | COC(c1cccc(c1)N1C(=C(C(NCc2ccc3c(c2)OCO3)=O)SC1=S)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9298 |
| logD: | 2.9298 |
| logSw: | -3.4701 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.817 |
| InChI Key: | GSINIXQYJVAMIT-UHFFFAOYSA-N |