N-[2-(dimethylamino)ethyl]-N-(2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(phenylsulfanyl)propanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-N-(2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(phenylsulfanyl)propanamide--hydrogen chloride (1/1)
N-[2-(dimethylamino)ethyl]-N-(2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(phenylsulfanyl)propanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E676-1645 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-N-(2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(phenylsulfanyl)propanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 466.02 |
| Molecular Formula: | C21 H23 N3 O3 S2 |
| Salt: | HCl |
| Smiles: | CN(C)CCN(C(CCSc1ccccc1)=O)c1nc2cc3c(cc2s1)OCO3 |
| Stereo: | ACHIRAL |
| logP: | 4.4919 |
| logD: | 3.7613 |
| logSw: | -4.3109 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.829 |
| InChI Key: | DPJXKFQOPJCXTC-UHFFFAOYSA-N |