5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0223 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 341.82 |
| Molecular Formula: | C17 H12 Cl N3 O S |
| Smiles: | C1C(C(=C(N)N1c1ccccc1[Cl])c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7269 |
| logD: | 3.7269 |
| logSw: | -3.9763 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.119 |
| InChI Key: | XPIVBGSSPZQYRQ-UHFFFAOYSA-N |