5-amino-4-(1,3-benzothiazol-2-yl)-1-[(4-ethylphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(4-ethylphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(4-ethylphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | F187-0299 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(4-ethylphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C20 H19 N3 O S |
| Smiles: | CCc1ccc(CN2CC(C(=C2N)c2nc3ccccc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.038 |
| logD: | 4.038 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.865 |
| InChI Key: | BKXUPCCMSQDWNR-UHFFFAOYSA-N |