4-{2-[2-amino-4-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
Chemical Structure Depiction of
4-{2-[2-amino-4-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
4-{2-[2-amino-4-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
Compound characteristics
| Compound ID: | V028-9548 |
| Compound Name: | 4-{2-[2-amino-4-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile |
| Molecular Weight: | 322.39 |
| Molecular Formula: | C17 H14 N4 O S |
| Salt: | not_available |
| Smiles: | C=CCN1CC(C(=C1N)c1nc(cs1)c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8242 |
| logD: | 2.8242 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.185 |
| InChI Key: | HWDFCBMYWBERMG-UHFFFAOYSA-N |