2-[4-(azepane-1-sulfonyl)phenyl]-5-{[2-(dimethylamino)ethyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[2-(dimethylamino)ethyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[2-(dimethylamino)ethyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0797 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[2-(dimethylamino)ethyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C20 H27 N5 O3 S |
| Smiles: | CN(C)CCNc1c(C#N)nc(c2ccc(cc2)S(N2CCCCCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.512 |
| logD: | 1.0143 |
| logSw: | -2.8199 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.298 |
| InChI Key: | HTDXHHLFZWKDMT-UHFFFAOYSA-N |