2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(dimethylamino)propyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(dimethylamino)propyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(dimethylamino)propyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0798 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(dimethylamino)propyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | CN(C)CCCNc1c(C#N)nc(c2ccc(cc2)S(N2CCCCCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.5183 |
| logD: | 0.5112 |
| logSw: | -2.8139 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.298 |
| InChI Key: | MXHQVLDHEOWSSO-UHFFFAOYSA-N |