2-(azepan-1-yl)-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 4988-0367 |
| Compound Name: | 2-(azepan-1-yl)-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 329.46 |
| Molecular Formula: | C18 H23 N3 O S |
| Smiles: | CN(C)c1ccc(/C=C2/C(N=C(N3CCCCCC3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7834 |
| logD: | 3.7833 |
| logSw: | -3.7882 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.7309 |
| InChI Key: | NBBZXWJMRKQULS-UHFFFAOYSA-N |