methyl 3-[4-amino-5-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-[4-amino-5-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
methyl 3-[4-amino-5-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate
Compound characteristics
| Compound ID: | F128-0581 |
| Compound Name: | methyl 3-[4-amino-5-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1,3-thiazol-3(2H)-yl]-4-methylbenzoate |
| Molecular Weight: | 377.48 |
| Molecular Formula: | C17 H19 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1N1C(=C(C(N2CCCC2)=O)SC1=S)N)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8737 |
| logD: | 2.8737 |
| logSw: | -3.2192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.002 |
| InChI Key: | GRCXLCFDHJKZGY-UHFFFAOYSA-N |