4-{2-[2-amino-1-(cyclohexylmethyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
Chemical Structure Depiction of
4-{2-[2-amino-1-(cyclohexylmethyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
4-{2-[2-amino-1-(cyclohexylmethyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile
Compound characteristics
| Compound ID: | V017-4070 |
| Compound Name: | 4-{2-[2-amino-1-(cyclohexylmethyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-4-yl}benzonitrile |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)CN1CC(C(=C1N)c1nc(cs1)c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5846 |
| logD: | 4.5846 |
| logSw: | -4.6044 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.127 |
| InChI Key: | NEGKWMCSFCJQNL-UHFFFAOYSA-N |