2-[4-(azepane-1-sulfonyl)phenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0808 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C21 H27 N5 O3 S |
| Smiles: | CN1CCN(CC1)c1c(C#N)nc(c2ccc(cc2)S(N2CCCCCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.7547 |
| logD: | 2.3739 |
| logSw: | -3.1251 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.273 |
| InChI Key: | OUDZQKATUGRMRL-UHFFFAOYSA-N |