2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0813 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)c1nc(C#N)c(NCc2cccnc2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7175 |
| logD: | 2.7028 |
| logSw: | -3.0425 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.837 |
| InChI Key: | MYRJWCYMKKGVDE-UHFFFAOYSA-N |