methyl (4-{4-amino-5-[(prop-2-en-1-yl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}phenyl)acetate
Chemical Structure Depiction of
methyl (4-{4-amino-5-[(prop-2-en-1-yl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}phenyl)acetate
methyl (4-{4-amino-5-[(prop-2-en-1-yl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}phenyl)acetate
Compound characteristics
| Compound ID: | F128-0613 |
| Compound Name: | methyl (4-{4-amino-5-[(prop-2-en-1-yl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3(2H)-yl}phenyl)acetate |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C16 H17 N3 O3 S2 |
| Smiles: | COC(Cc1ccc(cc1)N1C(=C(C(NCC=C)=O)SC1=S)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3643 |
| logD: | 1.3643 |
| logSw: | -2.2182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.22 |
| InChI Key: | QQKMSWZCWOGVOH-UHFFFAOYSA-N |