4-{2-[2-amino-1-(3-methoxypropyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
Chemical Structure Depiction of
4-{2-[2-amino-1-(3-methoxypropyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
4-{2-[2-amino-1-(3-methoxypropyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
Compound characteristics
| Compound ID: | V017-4079 |
| Compound Name: | 4-{2-[2-amino-1-(3-methoxypropyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | COCCCN1CC(C(=C1N)c1nc(cs1)c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5647 |
| logD: | 2.5647 |
| logSw: | -2.7374 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.527 |
| InChI Key: | QIZFMSKBVFSJJO-UHFFFAOYSA-N |