4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | F187-0499 |
| Compound Name: | 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C26 H22 N4 O2 S2 |
| Smiles: | CSc1ccc(CNC(c2ccc(cc2)N2CC(C(=C2N)c2nc3ccccc3s2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5369 |
| logD: | 4.5369 |
| logSw: | -4.4851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.833 |
| InChI Key: | HRUHHOWCESOHAL-UHFFFAOYSA-N |