5-{[3-(dimethylamino)propyl]amino}-2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[3-(dimethylamino)propyl]amino}-2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-{[3-(dimethylamino)propyl]amino}-2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0848 |
| Compound Name: | 5-{[3-(dimethylamino)propyl]amino}-2-[4-(4-methylpiperidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | CC1CCN(CC1)S(c1ccc(cc1)c1nc(C#N)c(NCCCN(C)C)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4964 |
| logD: | 0.4893 |
| logSw: | -2.9196 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.967 |
| InChI Key: | APMGSOKZQKGSNW-UHFFFAOYSA-N |