4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(4-methoxyphenyl)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-methoxyphenyl)methyl]benzamide
4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | F187-0361 |
| Compound Name: | 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | COc1ccc(CNC(c2ccc(cc2)N2CC(C(=C2N)c2nc3ccccc3s2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 3.8 |
| logSw: | -4.2329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.377 |
| InChI Key: | VMQFPENGKKVDFF-UHFFFAOYSA-N |