3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide
Compound characteristics
| Compound ID: | F187-0567 |
| Compound Name: | 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C26 H20 N4 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cccc(c1)N1CC(C(=C1N)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8198 |
| logD: | 3.8198 |
| logSw: | -4.3026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.948 |
| InChI Key: | LEAHTFJCFHONLB-UHFFFAOYSA-N |