5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0740 |
| Compound Name: | 5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 426.5 |
| Molecular Formula: | C20 H22 N6 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)c1nc(C#N)c(NCCCn2ccnc2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5973 |
| logD: | 1.3554 |
| logSw: | -2.3904 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.996 |
| InChI Key: | NTSOONDVHQDMKL-UHFFFAOYSA-N |