5-amino-4-(1,3-benzothiazol-2-yl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | F187-0235 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-{[4-(methylsulfanyl)phenyl]methyl}-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C19 H17 N3 O S2 |
| Smiles: | CSc1ccc(CN2CC(C(=C2N)c2nc3ccccc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8267 |
| logD: | 3.8267 |
| logSw: | -4.0853 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.865 |
| InChI Key: | SCBQIRMIKPXYIZ-UHFFFAOYSA-N |