propyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
propyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
propyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | D086-0299 |
| Compound Name: | propyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CCCOC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4338 |
| logD: | 4.4338 |
| logSw: | -4.5168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.467 |
| InChI Key: | IPZJVYJYMGUCHL-UHFFFAOYSA-N |