5-amino-4-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | F187-0238 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | COc1ccc(c(CN2CC(C(=C2N)c2nc3ccccc3s2)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.324 |
| logD: | 3.324 |
| logSw: | -3.6635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.04 |
| InChI Key: | BUWBVIAWIHCNKK-UHFFFAOYSA-N |