2-[4-(azepane-1-sulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0809 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Smiles: | CCN1CCN(CC1)c1c(C#N)nc(c2ccc(cc2)S(N2CCCCCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.0994 |
| logD: | 2.6224 |
| logSw: | -3.2222 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.333 |
| InChI Key: | PWXKSQIQNWIWJC-UHFFFAOYSA-N |