2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(2-chlorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(2-chlorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(2-chlorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0781 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(2-chlorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)c1nc(C#N)c(NCc2ccccc2[Cl])o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7272 |
| logD: | 4.7272 |
| logSw: | -4.9442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.32 |
| InChI Key: | IXHKMCAGZHJISN-UHFFFAOYSA-N |