5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0739 |
| Compound Name: | 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | COc1ccc(CCNc2c(C#N)nc(c3ccc(cc3)S(N3CCCC3)(=O)=O)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8003 |
| logD: | 2.8003 |
| logSw: | -3.4866 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.457 |
| InChI Key: | HCAZQQDMCRKWHH-UHFFFAOYSA-N |