2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0790 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C22 H26 N6 O3 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)c1nc(C#N)c(NCCCn2ccnc2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4237 |
| logD: | 2.1819 |
| logSw: | -2.836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.962 |
| InChI Key: | QOIZBZSPPUCLGB-UHFFFAOYSA-N |