3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(3-methylphenyl)methyl]benzamide
Chemical Structure Depiction of
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(3-methylphenyl)methyl]benzamide
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(3-methylphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | F187-0586 |
| Compound Name: | 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(3-methylphenyl)methyl]benzamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C26 H22 N4 O2 S |
| Smiles: | Cc1cccc(CNC(c2cccc(c2)N2CC(C(=C2N)c2nc3ccccc3s2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5952 |
| logD: | 4.5952 |
| logSw: | -4.5293 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.833 |
| InChI Key: | VLKNSJXQWLBKAB-UHFFFAOYSA-N |