4-(2-{2-amino-1-[(3-fluorophenyl)methyl]-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-fluorophenyl)methyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile
4-(2-{2-amino-1-[(3-fluorophenyl)methyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile
Compound characteristics
Compound ID: | V017-4059 |
Compound Name: | 4-(2-{2-amino-1-[(3-fluorophenyl)methyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile |
Molecular Weight: | 390.44 |
Molecular Formula: | C21 H15 F N4 O S |
Salt: | not_available |
Smiles: | C1C(C(=C(N)N1Cc1cccc(c1)F)c1nc(cs1)c1ccc(C#N)cc1)=O |
Stereo: | ACHIRAL |
logP: | 3.7739 |
logD: | 3.7739 |
logSw: | -4.4236 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.935 |
InChI Key: | TUOMRXZKSNKALR-UHFFFAOYSA-N |