pentyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
pentyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
pentyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | D086-0302 |
| Compound Name: | pentyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | CCCCCOC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.457 |
| logD: | 5.457 |
| logSw: | -5.3515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.467 |
| InChI Key: | LHYZTFJTGZCJCK-UHFFFAOYSA-N |