2-[4-(azepane-1-sulfonyl)phenyl]-5-(butylamino)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-(butylamino)-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-(butylamino)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0770 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-(butylamino)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCCCNc1c(C#N)nc(c2ccc(cc2)S(N2CCCCCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9887 |
| logD: | 3.9887 |
| logSw: | -3.8935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.433 |
| InChI Key: | KUQZYPKYEUZCEE-UHFFFAOYSA-N |