5-{[(4-methylphenyl)methyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(4-methylphenyl)methyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-{[(4-methylphenyl)methyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0729 |
| Compound Name: | 5-{[(4-methylphenyl)methyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccc(CNc2c(C#N)nc(c3ccc(cc3)S(N3CCCC3)(=O)=O)o2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5421 |
| logD: | 3.5421 |
| logSw: | -3.7892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.354 |
| InChI Key: | JJZYDVZQLGIPMW-UHFFFAOYSA-N |