5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0639 |
| Compound Name: | 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[4-(piperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | COc1ccc(CCNc2c(C#N)nc(c3ccc(cc3)S(N3CCCCC3)(=O)=O)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1309 |
| logD: | 3.1309 |
| logSw: | -3.4173 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.091 |
| InChI Key: | KXBOJELPUNHLIB-UHFFFAOYSA-N |