methyl 3-[4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-[4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
methyl 3-[4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
Compound characteristics
| Compound ID: | F128-0585 |
| Compound Name: | methyl 3-[4-amino-5-{[(2-methoxyphenyl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C21 H21 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1N1C(=C(C(NCc2ccccc2OC)=O)SC1=S)N)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7954 |
| logD: | 3.7954 |
| logSw: | -4.155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.031 |
| InChI Key: | NLNRLDPSCXLNNV-UHFFFAOYSA-N |