2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(furan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(furan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(furan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0801 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(furan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)c1nc(C#N)c(NCc2ccco2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6958 |
| logD: | 3.6958 |
| logSw: | -3.9945 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.068 |
| InChI Key: | TZORXQVLHPBQGX-UHFFFAOYSA-N |