2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(4-methylphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(4-methylphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(4-methylphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0779 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(4-methylphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | Cc1ccc(CNc2c(C#N)nc(c3ccc(cc3)S(N3CCCCCC3)(=O)=O)o2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3686 |
| logD: | 4.3686 |
| logSw: | -4.1568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.32 |
| InChI Key: | MINPPYSVMASSHE-UHFFFAOYSA-N |