methyl 3-[4-amino-5-{[(4-methylphenyl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Chemical Structure Depiction of
methyl 3-[4-amino-5-{[(4-methylphenyl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
methyl 3-[4-amino-5-{[(4-methylphenyl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | F128-0564 |
| Compound Name: | methyl 3-[4-amino-5-{[(4-methylphenyl)methyl]carbamoyl}-2-sulfanylidene-1,3-thiazol-3(2H)-yl]benzoate |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C20 H19 N3 O3 S2 |
| Smiles: | Cc1ccc(CNC(C2=C(N)N(C(=S)S2)c2cccc(c2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.44 |
| logD: | 3.44 |
| logSw: | -3.7975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.702 |
| InChI Key: | LYYGJBHVQPGQFC-UHFFFAOYSA-N |