5-amino-4-(1,3-benzothiazol-2-yl)-1-[(3,4,5-triethoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(3,4,5-triethoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-[(3,4,5-triethoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | F187-0001 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(3,4,5-triethoxyphenyl)methyl]-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CCOc1cc(CN2CC(C(=C2N)c2nc3ccccc3s2)=O)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.7276 |
| logD: | 3.7276 |
| logSw: | -4.0605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.583 |
| InChI Key: | GJZRFGWPHFKAKO-UHFFFAOYSA-N |