methyl {4-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]phenyl}acetate
Chemical Structure Depiction of
methyl {4-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]phenyl}acetate
methyl {4-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]phenyl}acetate
Compound characteristics
| Compound ID: | F128-0611 |
| Compound Name: | methyl {4-[4-amino-5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]phenyl}acetate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C21 H19 N3 O5 S2 |
| Smiles: | COC(Cc1ccc(cc1)N1C(=C(C(NCc2ccc3c(c2)OCO3)=O)SC1=S)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4477 |
| logD: | 2.4477 |
| logSw: | -2.9933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.222 |
| InChI Key: | OSDMORYWVDVPIU-UHFFFAOYSA-N |