methyl 3-[4-amino-5-(cyclohexylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-[4-amino-5-(cyclohexylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
methyl 3-[4-amino-5-(cyclohexylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
Compound characteristics
| Compound ID: | F128-0572 |
| Compound Name: | methyl 3-[4-amino-5-(cyclohexylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C19 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1N1C(=C(C(NC2CCCCC2)=O)SC1=S)N)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9332 |
| logD: | 3.9332 |
| logSw: | -4.1816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.126 |
| InChI Key: | LEYMZUYQBYVDFC-UHFFFAOYSA-N |