3-(4-chlorophenyl)-N-{2-[(pyrimidin-2-yl)amino]ethyl}-4-(1H-pyrrol-1-yl)butanamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-{2-[(pyrimidin-2-yl)amino]ethyl}-4-(1H-pyrrol-1-yl)butanamide
3-(4-chlorophenyl)-N-{2-[(pyrimidin-2-yl)amino]ethyl}-4-(1H-pyrrol-1-yl)butanamide
Compound characteristics
| Compound ID: | IB07-5003 |
| Compound Name: | 3-(4-chlorophenyl)-N-{2-[(pyrimidin-2-yl)amino]ethyl}-4-(1H-pyrrol-1-yl)butanamide |
| Molecular Weight: | 383.88 |
| Molecular Formula: | C20 H22 Cl N5 O |
| Smiles: | C(C(Cn1cccc1)c1ccc(cc1)[Cl])C(NCCNc1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.38 |
| logD: | 2.38 |
| logSw: | -3.05 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.3 |
| InChI Key: | MCUYKICWHUOJOZ-KRWDZBQOSA-N |