N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E676-1453 |
| Compound Name: | N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenoxypropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 440.39 |
| Molecular Formula: | C20 H22 Cl N3 O2 S |
| Salt: | HCl |
| Smiles: | CN(C)CCN(C(CCOc1ccccc1)=O)c1nc2c(cccc2s1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6971 |
| logD: | 3.9665 |
| logSw: | -4.651 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.901 |
| InChI Key: | XMGDAHLKZLCITJ-UHFFFAOYSA-N |