4-(2-{2-amino-1-[3-(morpholin-4-yl)propyl]-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-(morpholin-4-yl)propyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile
4-(2-{2-amino-1-[3-(morpholin-4-yl)propyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile
Compound characteristics
| Compound ID: | V017-4090 |
| Compound Name: | 4-(2-{2-amino-1-[3-(morpholin-4-yl)propyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}-1,3-thiazol-4-yl)benzonitrile |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Salt: | not_available |
| Smiles: | C(CN1CCOCC1)CN1CC(C(=C1N)c1nc(cs1)c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1497 |
| logD: | 2.0196 |
| logSw: | -2.5274 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.805 |
| InChI Key: | RHTZZJKKCPSOEH-UHFFFAOYSA-N |