methyl 4-{[3-(dimethylamino)propyl](4-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{[3-(dimethylamino)propyl](4-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{[3-(dimethylamino)propyl](4-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-1335 |
| Compound Name: | methyl 4-{[3-(dimethylamino)propyl](4-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 451.95 |
| Molecular Formula: | C21 H22 F N3 O3 S |
| Salt: | HCl |
| Smiles: | CN(C)CCCN(C(c1ccc(cc1)C(=O)OC)=O)c1nc2c(cccc2s1)F |
| Stereo: | ACHIRAL |
| logP: | 3.9822 |
| logD: | 1.8343 |
| logSw: | -4.128 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.185 |
| InChI Key: | SFMYXNLKESGSOP-UHFFFAOYSA-N |